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TF9

TF9
Name:	1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
Formula:	C15 H20 N2 O4 S
SMILES:	CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2
InChi:	InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
Synonyms:	acetohexamide
Definition date:	2023-04-21
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea

YHC

YHC
Name:	~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide
Formula:	C31 H31 Cl F3 N9 O5
SMILES:	CCC1=C(N2CCN(CC2)C(=O)c3ncnc(C)c3O)C(=O)n4nc(nc4N1CC(=O)Nc5ccc(cc5Cl)C(F)(F)F)C6=CCOCC6
InChi:	InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)
Definition date:	2023-06-16
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide

VI1

VI1
Name:	(1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C20 H27 N O5 S
SMILES:	O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC
InChi:	InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1
Definition date:	2023-09-12
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

VY8

VY8
Name:	1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea
Formula:	C12 H19 N3 O S
SMILES:	COc1ccccc1NC(=S)NCCN(C)C
InChi:	InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)
Definition date:	2023-04-13
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea

TV0

TV0
Name:	4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one
Formula:	C9 H13 N3 O5 S
SMILES:	NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O)[CH]2O
InChi:	InChI=1S/C9H13N3O5S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(17,3-13)18-7/h1-2,5-7,13-15,17H,3H2,(H2,10,11,16)/t5-,6+,7-,9+/m1/s1
Definition date:	2023-04-29
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one

JMR

JMR
Name:	1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(E)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide
Formula:	C12 H15 Br Cl N3 O2 S
SMILES:	N=CN1CCC(NS(=O)(=O)Cc2ccc(Cl)cc2Br)C1
InChi:	InChI=1S/C12H15BrClN3O2S/c13-12-5-10(14)2-1-9(12)7-20(18,19)16-11-3-4-17(6-11)8-15/h1-2,5,8,11,15-16H,3-4,6-7H2/b15-8-/t11-/m0/s1
Definition date:	2023-08-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-(2-bromo-4-chlorophenyl)-N-{(3S)-1-[(Z)-iminomethyl]pyrrolidin-3-yl}methanesulfonamide

JR0

JR0
Name:	N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide
Formula:	C34 H39 N7 O5
SMILES:	O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1
InChi:	InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42)
Definition date:	2023-08-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide

JS9

JS9
Name:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide
Formula:	C31 H35 N5 O4
SMILES:	COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:	InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3
Definition date:	2023-08-09
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide

K4R

K4R
Name:	1H-indazole-3-carbonitrile
Formula:	C8 H5 N3
SMILES:	N#Cc1n[NH]c2ccccc21
InChi:	InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
Definition date:	2023-08-10
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1H-indazole-3-carbonitrile

K6C

K6C
Name:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide
Formula:	C26 H27 N5 O3
SMILES:	CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:	InChI=1S/C26H27N5O3/c1-30(2)26(32)19-7-5-18(6-8-19)13-14-31-17-24(28-29-31)20-9-11-23(27-16-20)22-15-21(33-3)10-12-25(22)34-4/h5-12,15-17H,13-14H2,1-4H3
Definition date:	2023-08-10
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide

K6U

K6U
Name:	(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole
Formula:	C9 H8 N2 O2
SMILES:	COc1ccccc1c1nnco1
InChi:	InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3
Definition date:	2023-08-10
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole

9UU

9UU
Name:	1-(4-hydroxyphenyl)pyrrole-2,5-dione
Formula:	C10 H7 N O3
SMILES:	Oc1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
Definition date:	2023-04-28
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-(4-hydroxyphenyl)pyrrole-2,5-dione

QU0

QU0
Name:	N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide
Formula:	C25 H34 N4 O4 S
SMILES:	CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1
InChi:	InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1
Definition date:	2023-08-21
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide

GV3

GV3
Name:	5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine
Formula:	C20 H26 N8 O3 S
SMILES:	N=C(Nc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C20H26N8O3S/c21-17-14-18(25-10-24-17)28(11-26-14)19-16(30)15(29)13(31-19)9-32-8-4-7-23-20(22)27-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,29-30H,4,7-9H2,(H2,21,24,25)(H3,22,23,27)/t13-,15-,16-,19-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine

GWU

GWU
Name:	5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine
Formula:	C23 H33 N9 O4
SMILES:	NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C23H33N9O4/c24-7-4-9-31(10-8-26-23(35)27-11-15-5-2-1-3-6-15)12-16-18(33)19(34)22(36-16)32-14-30-17-20(25)28-13-29-21(17)32/h1-3,5-6,13-14,16,18-19,22,33-34H,4,7-12,24H2,(H2,25,28,29)(H2,26,27,35)/t16-,18-,19-,22-/m1/s1
Definition date:	2023-05-01
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine

A1AM8

A1AM8
Name:	methyl 3-aminopyridine-4-carboxylate
Formula:	C7 H8 N2 O2
SMILES:	Nc1cnccc1C(=O)OC
InChi:	InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	methyl 3-aminopyridine-4-carboxylate

A1AM9

A1AM9
Name:	(3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
Formula:	C11 H12 F N O2
SMILES:	CN1CCC(Oc2cc(F)ccc2)C1=O
InChi:	InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one

A1AMY

A1AMY
Name:	N-[(2-fluorophenyl)methyl]oxan-4-amine
Formula:	C12 H16 F N O
SMILES:	Fc1ccccc1CNC1CCOCC1
InChi:	InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-[(2-fluorophenyl)methyl]oxan-4-amine

A1AMZ

A1AMZ
Name:	(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide
Formula:	C6 H6 N4 O2 S
SMILES:	NS(=O)(=O)c1cnc2cccnn12
InChi:	InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide

A1ANA

A1ANA
Name:	4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
Formula:	C9 H14 N4 O
SMILES:	Nc1cn(C)nc1C(=O)NC1CCC1
InChi:	InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide

A1ANB

A1ANB
Name:	2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
Formula:	C11 H15 N O2
SMILES:	O=C(Nc1c(C)cc(C)cc1C)CO
InChi:	InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide

A1ANE

A1ANE
Name:	5-phenyl-1,3,4-oxadiazol-2-ol
Formula:	C8 H6 N2 O2
SMILES:	Oc1nnc(o1)c1ccccc1
InChi:	InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5-phenyl-1,3,4-oxadiazol-2-ol

A1ANF

A1ANF
Name:	1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one
Formula:	C12 H14 Cl N O
SMILES:	O=C(CN1CCCC1)c1ccccc1Cl
InChi:	InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one

A1D64

A1D64
Name:	(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid
Formula:	C9 H12 N2 O2 S
SMILES:	N[CH](CSc1ccc(N)cc1)C(O)=O
InChi:	InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
Synonyms:	S-(4-aminophenyl)cysteine
Definition date:	2024-03-27
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid

A1H2Y

A1H2Y
Name:	N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide
Formula:	C23 H29 N7 O3
SMILES:	COc1cc(Nc2nccc(n2)c3cc(n(C)n3)C(=O)N[CH](C)CN4CCC4)cc(OC)c1
InChi:	InChI=1S/C23H29N7O3/c1-15(14-30-8-5-9-30)25-22(31)21-13-20(28-29(21)2)19-6-7-24-23(27-19)26-16-10-17(32-3)12-18(11-16)33-4/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,25,31)(H,24,26,27)/t15-/m0/s1
Synonyms:	~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide
Definition date:	2024-01-24
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide

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