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A1B1P

A1B1P
Name:	(1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Formula:	C15 H16 N2 O4
SMILES:	O=C(O)CCC1NC(Cc2c3ccccc3[NH]c21)C(=O)O
InChi:	InChI=1S/C15H16N2O4/c18-13(19)6-5-11-14-9(7-12(16-11)15(20)21)8-3-1-2-4-10(8)17-14/h1-4,11-12,16-17H,5-7H2,(H,18,19)(H,20,21)/t11-,12-/m0/s1
Definition date:	2025-03-20
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(1S,3S)-1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

A1B86

A1B86
Name:	benzyl [3-({4-[(1R)-1-aminoethyl]phenyl}carbamoyl)-5-chlorophenyl]carbamate
Formula:	C23 H22 Cl N3 O3
SMILES:	Clc1cc(cc(NC(=O)OCc2ccccc2)c1)C(=O)Nc1ccc(cc1)C(C)N
InChi:	InChI=1S/C23H22ClN3O3/c1-15(25)17-7-9-20(10-8-17)26-22(28)18-11-19(24)13-21(12-18)27-23(29)30-14-16-5-3-2-4-6-16/h2-13,15H,14,25H2,1H3,(H,26,28)(H,27,29)/t15-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	benzyl [3-({4-[(1R)-1-aminoethyl]phenyl}carbamoyl)-5-chlorophenyl]carbamate

A1B8Q

A1B8Q
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide
Formula:	C15 H12 F N5 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]nnc12
InChi:	InChI=1S/C15H12FN5O/c16-10-4-12(14-13(5-10)19-21-20-14)15(22)18-11-2-1-8-6-17-7-9(8)3-11/h1-5,17H,6-7H2,(H,18,22)(H,19,20,21)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide

A1B8R

A1B8R
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide
Formula:	C17 H13 F3 N4 O
SMILES:	FC(F)(F)c1nc2cccc(c2[NH]1)C(=O)Nc1ccc2CNCc2c1
InChi:	InChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13-3-1-2-12(14(13)24-16)15(25)22-11-5-4-9-7-21-8-10(9)6-11/h1-6,21H,7-8H2,(H,22,25)(H,23,24)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide

A1B8U

A1B8U
Name:	3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide
Formula:	C16 H14 N4 O2
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cccc2onc(N)c12
InChi:	InChI=1S/C16H14N4O2/c17-15-14-12(2-1-3-13(14)22-20-15)16(21)19-11-5-4-9-7-18-8-10(9)6-11/h1-6,18H,7-8H2,(H2,17,20)(H,19,21)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide

A1B8V

A1B8V
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide
Formula:	C17 H16 N4 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cccc2nn(C)cc12
InChi:	InChI=1S/C17H16N4O/c1-21-10-15-14(3-2-4-16(15)20-21)17(22)19-13-6-5-11-8-18-9-12(11)7-13/h2-7,10,18H,8-9H2,1H3,(H,19,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide

A1B8Y

A1B8Y
Name:	(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide
Formula:	C17 H21 F2 N3 O
SMILES:	CC1CC2(CC(F)(F)C2)CN1C(=O)Nc1cc2CNCc2cc1
InChi:	InChI=1S/C17H21F2N3O/c1-11-5-16(8-17(18,19)9-16)10-22(11)15(23)21-14-3-2-12-6-20-7-13(12)4-14/h2-4,11,20H,5-10H2,1H3,(H,21,23)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide

A1B8Z

A1B8Z
Name:	(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide
Formula:	C18 H15 Cl N4 O
SMILES:	Clc1cc(c(cc1)n1ccnc1)C(=O)Nc1cc2CNCc2cc1
InChi:	InChI=1S/C18H15ClN4O/c19-14-2-4-17(23-6-5-20-11-23)16(8-14)18(24)22-15-3-1-12-9-21-10-13(12)7-15/h1-8,11,21H,9-10H2,(H,22,24)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide

A1B9A

A1B9A
Name:	6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C19 H19 N5 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cc(nc2c1cnn2C)C1CC1
InChi:	InChI=1S/C19H19N5O/c1-24-18-16(10-21-24)15(7-17(23-18)11-2-3-11)19(25)22-14-5-4-12-8-20-9-13(12)6-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,22,25)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

A1B9B

A1B9B
Name:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide
Formula:	C20 H22 Cl N5 O
SMILES:	CCCNC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12
InChi:	InChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide

A1B9E

A1B9E
Name:	(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide
Formula:	C21 H22 Cl F2 N3 O
SMILES:	FC(F)CNC(=O)C(Nc1ccc2CNCc2c1)c1cc(cc(Cl)c1)C1CC1
InChi:	InChI=1S/C21H22ClF2N3O/c22-17-6-14(12-1-2-12)5-15(7-17)20(21(28)26-11-19(23)24)27-18-4-3-13-9-25-10-16(13)8-18/h3-8,12,19-20,25,27H,1-2,9-11H2,(H,26,28)/t20-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide

A1B9F

A1B9F
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide
Formula:	C16 H13 F N4 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]ncc12
InChi:	InChI=1S/C16H13FN4O/c17-11-4-13(14-8-19-21-15(14)5-11)16(22)20-12-2-1-9-6-18-7-10(9)3-12/h1-5,8,18H,6-7H2,(H,19,21)(H,20,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide

A1B9J

A1B9J
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide
Formula:	C16 H14 N4 O2
SMILES:	O=C1Nc2cccc(c2N1)C(=O)Nc1ccc2CNCc2c1
InChi:	InChI=1S/C16H14N4O2/c21-15(12-2-1-3-13-14(12)20-16(22)19-13)18-11-5-4-9-7-17-8-10(9)6-11/h1-6,17H,7-8H2,(H,18,21)(H2,19,20,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide

A1B9M

A1B9M
Name:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide
Formula:	C20 H22 Cl N5 O
SMILES:	CC(C)NC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12
InChi:	InChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide

A1B9N

A1B9N
Name:	3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
Formula:	C15 H13 Cl N6 O
SMILES:	NCc1cc(cc(Cl)c1)C(=O)Nc1cccc(c1)c1n[NH]nn1
InChi:	InChI=1S/C15H13ClN6O/c16-12-5-9(8-17)4-11(6-12)15(23)18-13-3-1-2-10(7-13)14-19-21-22-20-14/h1-7H,8,17H2,(H,18,23)(H,19,20,21,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

A1B9O

A1B9O
Name:	N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide
Formula:	C18 H20 N4 O
SMILES:	NCc1cc(ccc1)NC(=O)c1cccc2[NH]c(nc12)C(C)C
InChi:	InChI=1S/C18H20N4O/c1-11(2)17-21-15-8-4-7-14(16(15)22-17)18(23)20-13-6-3-5-12(9-13)10-19/h3-9,11H,10,19H2,1-2H3,(H,20,23)(H,21,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide

KDH

KDH
Name:	(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Formula:	C22 H18 O11
SMILES:	O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4
InChi:	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
Synonyms:	(-)-Epigallocatechin-3-gallate
Definition date:	2009-01-13
Last modified:	2025-04-18
Identifier:	(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

WPW

WPW
Name:	2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:	C14 H17 Cl2 F N2 O3 S
SMILES:	Fc1cc(ccc1Cl)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C14H17Cl2FN2O3S/c15-8-14(20)18-9-10-3-5-19(6-4-10)23(21,22)11-1-2-12(16)13(17)7-11/h1-2,7,10H,3-6,8-9H2,(H,18,20)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide

WQ0

WQ0
Name:	~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C14 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C14H17BrClFN2O3S/c15-12-2-1-11(7-13(12)17)23(21,22)19-5-3-10(4-6-19)9-18-14(20)8-16/h1-2,7,10H,3-6,8-9H2,(H,18,20)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

WQ5

WQ5
Name:	2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:	C15 H17 Cl F4 N2 O3 S
SMILES:	Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C15H17ClF4N2O3S/c16-8-14(23)21-9-10-3-5-22(6-4-10)26(24,25)11-1-2-12(13(17)7-11)15(18,19)20/h1-2,7,10H,3-6,8-9H2,(H,21,23)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide

WQE

WQE
Name:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:	C15 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCCC3(CN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C15H17BrClFN2O3S/c16-12-3-2-11(6-13(12)18)24(22,23)20-5-1-4-15(10-20)8-19(9-15)14(21)7-17/h2-3,6H,1,4-5,7-10H2
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

WQX

WQX
Name:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:	C14 H15 Br Cl F N2 O4 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C14H15BrClFN2O4S/c15-11-2-1-10(5-12(11)17)24(21,22)19-3-4-23-14(9-19)7-18(8-14)13(20)6-16/h1-2,5H,3-4,6-9H2
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

XDQ

XDQ
Name:	(2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide
Formula:	C21 H21 Cl2 F3 N4 O4
SMILES:	C[C](N(C(=O)[CH](F)Cl)c1ccc(OC(F)(F)Cl)cc1)(C(=O)NC2CCOCC2)c3cncnc3
InChi:	InChI=1S/C21H21Cl2F3N4O4/c1-20(13-10-27-12-28-11-13,19(32)29-14-6-8-33-9-7-14)30(18(31)17(22)24)15-2-4-16(5-3-15)34-21(23,25)26/h2-5,10-12,14,17H,6-9H2,1H3,(H,29,32)/t17-,20-/m1/s1
Definition date:	2023-10-27
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide

XRW

XRW
Name:	N~6~-[(2S)-2-hydroxypropanoyl]-L-lysine
Formula:	C9 H18 N2 O4
SMILES:	O=C(NCCCCC(N)C(=O)O)C(C)O
InChi:	InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1
Definition date:	2022-12-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N~6~-[(2S)-2-hydroxypropanoyl]-L-lysine

6NA

6NA
Name:	HEXANOIC ACID
Formula:	C6 H12 O2
SMILES:	O=C(O)CCCCC
InChi:	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
Definition date:	2006-07-05
Last modified:	2025-04-16
Identifier:	hexanoic acid

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