 | | 1G1 | | Name: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | | Formula: | C33 H49 N7 O5 S | | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)/N=[N+]=[N-])cc1 | | InChi: | InChI=1S/C33H49N7O5S/c1-22(2)17-28(31(41)36-27(15-16-46(5,44)45)19-25-11-13-26(21-34)14-12-25)37-32(42)29(18-23(3)4)38-33(43)30(39-40-35)20-24-9-7-6-8-10-24/h6-14,22-23,27-30H,15-21,34H2,1-5H3,(H,36,41)(H,37,42)(H,38,43)/t27-,28+,29+,30+/m1/s1 | | Definition date: | 2013-01-22 | | Last modified: | 2024-05-08 | | Release date: | 2013-01-25 | | Identifier: | N-[(2S)-2-azido-3-phenylpropanoyl]-L-leucyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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 | | 1G6 | | Name: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form | | Formula: | C37 H50 N8 O5 S | | SMILES: | NCc1ccc(CC(CCS(C)(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(CN)cc2)NC(=O)C(Cc2ccccc2)N=[N+]=[N-])cc1 | | InChi: | InChI=1S/C37H50N8O5S/c1-25(2)19-32(35(46)41-31(17-18-51(3,49)50)20-27-9-13-29(23-38)14-10-27)42-36(47)33(21-28-11-15-30(24-39)16-12-28)43-37(48)34(44-45-40)22-26-7-5-4-6-8-26/h4-16,25,31-34H,17-24,38-39H2,1-3H3,(H,41,46)(H,42,47)(H,43,48)/t31-,32+,33-,34+/m1/s1 | | Definition date: | 2013-01-22 | | Last modified: | 2024-05-08 | | Release date: | 2013-01-25 | | Identifier: | 4-(aminomethyl)-N-[(2S)-2-azido-3-phenylpropanoyl]-D-phenylalanyl-N-[(2S)-1-[4-(aminomethyl)phenyl]-4-(methanesulfonyl)butan-2-yl]-L-leucinamide |
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 | | B3D | | Name: | 3-AMINOPENTANEDIOIC ACID | | Formula: | C5 H9 N O4 | | SMILES: | O=C(O)CC(N)CC(=O)O | | InChi: | InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10) | | Synonyms: | BETA-HOMOASPARTATE | | Definition date: | 2007-02-28 | | Last modified: | 2024-05-07 | | Identifier: | 3-aminopentanedioic acid |
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 | | CIV | | Name: | 2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide | | Formula: | C17 H24 N5 O3 | | SMILES: | NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O | | InChi: | InChI=1S/C17H23N5O3/c18-8-2-1-3-13(19)16-21-14(17(25)22(16)10-15(20)24)9-11-4-6-12(23)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H2-,20,23,24)/p+1/t13-/m0/s1 | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2021-11-22 | | Last modified: | 2024-05-06 | | Release date: | 2022-04-20 | | Identifier: | 3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium |
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 | | 4M9 | | Name: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide | | Formula: | C18 H17 N5 O3 | | SMILES: | O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23 | | InChi: | InChI=1S/C18H17N5O3/c19-13(5-6-16(20)25)17-22-15(18(26)23(17)7-8-24)9-11-10-21-14-4-2-1-3-12(11)14/h1-4,8-10,19,21H,5-7H2,(H2,20,25)/b15-9-,19-13+ | | Synonyms: | CHROMOPHORE (GLN-TRP-GLY) | | Definition date: | 2015-04-15 | | Last modified: | 2024-05-06 | | Release date: | 2015-12-23 | | Identifier: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide |
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 | | V5H | | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | | Formula: | C45 H85 Br4 O19 P3 | | SMILES: | OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O | | InChi: | InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1 | | Definition date: | 2023-09-08 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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 | | ZP2 | | Name: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone | | Formula: | C14 H10 F N O6 | | SMILES: | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2 | | InChi: | InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3 | | Synonyms: | Pharmacokinetically Improved TTR Binder (PITB) | | Definition date: | 2023-06-29 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone |
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 | | TXJ | | Name: | [(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid | | Formula: | C8 H16 N3 O12 P3 | | SMILES: | NC1=NC(=O)N(C[CH](CO)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1 | | InChi: | InChI=1S/C8H16N3O12P3/c9-7-1-2-11(8(13)10-7)3-6(4-12)21-5-24(14,15)22-26(19,20)23-25(16,17)18/h1-2,6,12H,3-5H2,(H,14,15)(H,19,20)(H2,9,10,13)(H2,16,17,18)/t6-/m0/s1 | | Definition date: | 2023-05-10 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | [(2~{S})-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid |
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 | | Y2W | | Name: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid | | Formula: | C7 H15 N O6 S | | SMILES: | N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O | | InChi: | InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1 | | Definition date: | 2023-11-16 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | [(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid |
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 | | W4X | | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | | Formula: | C22 H15 N O5 | | SMILES: | OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4 | | InChi: | InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28) | | Definition date: | 2023-04-28 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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 | | W52 | | Name: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | | Formula: | C22 H15 N O4 | | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4 | | InChi: | InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27) | | Definition date: | 2023-04-28 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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 | | WNO | | Name: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine | | Formula: | C15 H18 N4 | | SMILES: | CCN1CCN[CH]1c2cccc(n2)c3ccccn3 | | InChi: | InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1 | | Definition date: | 2023-10-09 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine |
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 | | W5E | | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | | Formula: | C22 H15 N O6 | | SMILES: | Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4 | | InChi: | InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29) | | Definition date: | 2023-04-28 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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 | | VPN | | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | | Formula: | C45 H83 Br4 O13 P | | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC | | InChi: | InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1 | | Definition date: | 2023-09-15 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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 | | Y6Z | | Name: | Antascomicine B | | Formula: | C37 H57 N O10 | | SMILES: | C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O | | InChi: | InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1 | | Synonyms: | (1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone | | Definition date: | 2023-11-23 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone |
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 | | YR5 | | Name: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid | | Formula: | C15 H16 F N2 O7 P | | SMILES: | Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O | | InChi: | InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24) | | Definition date: | 2023-12-11 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid |
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 | | JEI | | Name: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid | | Formula: | C15 H24 N6 O9 P2 | | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O | | InChi: | InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1 | | Definition date: | 2023-08-07 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
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 | | ZXT | | Name: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide | | Formula: | C17 H22 N4 O3 S2 | | SMILES: | CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3 | | InChi: | InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22) | | Definition date: | 2023-07-10 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
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 | | JG6 | | Name: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid | | Formula: | C13 H19 N6 O6 P | | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O | | InChi: | InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1 | | Definition date: | 2023-08-07 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid |
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 | | VE6 | | Name: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | | Formula: | C16 H10 Br N O4 | | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 | | InChi: | InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22) | | Synonyms: | 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid | | Definition date: | 2021-05-28 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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 | | U5D | | Name: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one | | Formula: | C23 H20 N2 O4 | | SMILES: | CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3 | | Definition date: | 2023-05-17 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one |
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 | | VEO | | Name: | 5-methoxy-1H-indole-2-carboxylic acid | | Formula: | C10 H9 N O3 | | SMILES: | COc1ccc2[nH]c(cc2c1)C(O)=O | | InChi: | InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | | Definition date: | 2023-03-03 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 5-methoxy-1~{H}-indole-2-carboxylic acid |
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 | | WCW | | Name: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid | | Formula: | C12 H16 N2 O2 | | SMILES: | NC1(CCN(CC1)c2ccccc2)C(O)=O | | InChi: | InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16) | | Definition date: | 2023-05-12 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid |
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 | | WD2 | | Name: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine | | Formula: | C10 H12 F3 N3 | | SMILES: | FC(F)(F)c1ccnc(c1)N2CCNCC2 | | InChi: | InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2 | | Definition date: | 2023-05-12 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine |
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 | | WD5 | | Name: | 4-(4-chlorophenyl)piperidin-4-ol | | Formula: | C11 H14 Cl N O | | SMILES: | OC1(CCNCC1)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 | | Definition date: | 2023-05-12 | | Last modified: | 2024-05-03 | | Release date: | 2024-05-08 | | Identifier: | 4-(4-chlorophenyl)piperidin-4-ol |
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