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A1AJ9

A1AJ9
Name:	4-methoxy-2-(piperazin-1-yl)pyrimidine
Formula:	C9 H14 N4 O
SMILES:	COc1nc(ncc1)N1CCNCC1
InChi:	InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-methoxy-2-(piperazin-1-yl)pyrimidine

A1AJQ

A1AJQ
Name:	4-(piperazin-1-yl)quinoline
Formula:	C13 H15 N3
SMILES:	c1cc(c2ccccc2n1)N1CCNCC1
InChi:	InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(piperazin-1-yl)quinoline

A1AJR

A1AJR
Name:	1,2,3,4-tetrahydro-1,5-naphthyridine
Formula:	C8 H10 N2
SMILES:	c1ccnc2CCCNc12
InChi:	InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1,2,3,4-tetrahydro-1,5-naphthyridine

A1AJU

A1AJU
Name:	4-ethenyl-1H-imidazole
Formula:	C5 H6 N2
SMILES:	C=Cc1c[NH]cn1
InChi:	InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-ethenyl-1H-imidazole

A1AJV

A1AJV
Name:	3-ethenyl-1,2-dimethyl-pyrazole
Formula:	C7 H11 N2
SMILES:	C[n+]1ccc(C=C)n1C
InChi:	InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-ethenyl-1,2-dimethyl-1H-pyrazol-2-ium

A1AJY

A1AJY
Name:	3-ethenyl-1-methyl-pyridine
Formula:	C8 H10 N
SMILES:	C[n+]1cccc(C=C)c1
InChi:	InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	3-ethenyl-1-methylpyridin-1-ium

A1AJZ

A1AJZ
Name:	4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Formula:	C6 H10 N2 O2
SMILES:	OCCC=1C(=O)NNC=1C
InChi:	InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

A1AKA

A1AKA
Name:	(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Formula:	C7 H11 N3
SMILES:	Cc1cnn2CCNCc12
InChi:	InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

A1AKB

A1AKB
Name:	N,N-dimethylpiperazine-1-carboxamide
Formula:	C7 H15 N3 O
SMILES:	O=C(N(C)C)N1CCNCC1
InChi:	InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	N,N-dimethylpiperazine-1-carboxamide

A1AOE

A1AOE
Name:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
Formula:	C15 H21 F3 N2 O2
SMILES:	OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

A1AOF

A1AOF
Name:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol
Formula:	C14 H18 Cl2 N2 O2
SMILES:	Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21
InChi:	InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol

A1AON

A1AON
Name:	(2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol
Formula:	C19 H21 Cl2 F3 N4 O2
SMILES:	OC(CN1CCC(CC1)Nc1nc(ccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C19H21Cl2F3N4O2/c20-15-2-1-14(9-16(15)21)30-11-13(29)10-28-7-4-12(5-8-28)26-18-25-6-3-17(27-18)19(22,23)24/h1-3,6,9,12-13,29H,4-5,7-8,10-11H2,(H,25,26,27)/t13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol

A1API

A1API
Name:	(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide
Formula:	C26 H24 Cl2 F2 N4 O4
SMILES:	O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[NH]c(/C=C/C(=O)NCCOC)c1c1ccc(Cl)cc1F
InChi:	InChI=1S/C26H24Cl2F2N4O4/c1-38-9-8-32-24(36)7-6-21-25(16-4-3-15(27)11-20(16)30)17(13-33-21)26(37)34-22(12-23(31)35)14-2-5-19(29)18(28)10-14/h2-7,10-11,13,22,33H,8-9,12H2,1H3,(H2,31,35)(H,32,36)(H,34,37)/b7-6+/t22-/m0/s1
Definition date:	2024-04-22
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide

A1H1O

A1H1O
Name:	(1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol
Formula:	C42 H31 O5 P
SMILES:	Oc1c2[CH]3C[CH](c4cc5[CH]6C[CH](c7ccccc67)c5cc34)c2c(O[P](O)(O)=O)c8[CH]9C[CH](c%10cc%11[CH]%12C[CH](c%13ccccc%12%13)c%11cc9%10)c18
InChi:	InChI=1S/C42H31O5P/c43-41-37-33-15-35(31-13-27-23-9-21(25(27)11-29(31)33)17-5-1-3-7-19(17)23)39(37)42(47-48(44,45)46)40-36-16-34(38(40)41)30-12-26-22-10-24(28(26)14-32(30)36)20-8-4-2-6-18(20)22/h1-8,11-14,21-24,33-36,43H,9-10,15-16H2,(H2,44,45,46)/t21-,22+,23+,24-,33-,34+,35+,36-
Definition date:	2024-01-03
Last modified:	2024-05-03
Release date:	2024-05-08

A1H9I

A1H9I
Name:	fluoromethylcholine
Formula:	C5 H13 F N O
SMILES:	C[N+](C)(CF)CCO
InChi:	InChI=1S/C5H13FNO/c1-7(2,5-6)3-4-8/h8H,3-5H2,1-2H3/q+1
Synonyms:	N-(fluoromethyl)-2-hydroxy-N,N- dimethylethan-1-aminium
Definition date:	2024-04-26
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	fluoranylmethyl-(2-hydroxyethyl)-dimethyl-azanium

A1H9R

A1H9R
Name:	~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide
Formula:	C11 H17 N3 O
SMILES:	Cn1cc(C(=O)NCC2CCC2)c(C)n1
InChi:	InChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15)
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide

A1H9U

A1H9U
Name:	~{N}-(3-azanyl-2-methyl-phenyl)propanamide
Formula:	C10 H14 N2 O
SMILES:	CCC(=O)Nc1cccc(N)c1C
InChi:	InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13)
Synonyms:	N-(3-amino-2-methylphenyl)propanamide
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N}-(3-azanyl-2-methyl-phenyl)propanamide

A1H9V

A1H9V
Name:	~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide
Formula:	C5 H9 N3 O2 S
SMILES:	CN(C)[S](=O)(=O)c1c[nH]nc1
InChi:	InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
Synonyms:	N,N-dimethyl-1H-pyrazole-4-sulfonamide
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide

A1H9W

A1H9W
Name:	[4-(methylamino)oxan-4-yl]methanol
Formula:	C7 H15 N O2
SMILES:	CNC1(CO)CCOCC1
InChi:	InChI=1S/C7H15NO2/c1-8-7(6-9)2-4-10-5-3-7/h8-9H,2-6H2,1H3
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[4-(methylamino)oxan-4-yl]methanol

A1H9X

A1H9X
Name:	5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione
Formula:	C11 H11 N3 O2
SMILES:	O=C1NC=C(NCc2ccccc2)C(=O)N1
InChi:	InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16)
Synonyms:	5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione
Definition date:	2024-04-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione

TXJ

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

YR5

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

U5D

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

U7O

U7O
Name:	5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one
Formula:	C18 H22 N4 O3
SMILES:	CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O
InChi:	InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3
Definition date:	2023-05-24
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one

ZP2

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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