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A1BLF

A1BLF
Name:	6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
Formula:	C32 H42 N8 O5
SMILES:	Cc1ncoc1COc1cc2CNC(Cc2cc1)C(O)CNC(=O)c1cc(NC2CN(C2)C(C)=O)nc(n1)N1CCC(C)CC1
InChi:	InChI=1S/C32H42N8O5/c1-19-6-8-39(9-7-19)32-37-27(12-30(38-32)36-24-15-40(16-24)21(3)41)31(43)34-14-28(42)26-11-22-4-5-25(10-23(22)13-33-26)44-17-29-20(2)35-18-45-29/h4-5,10,12,18-19,24,26,28,33,42H,6-9,11,13-17H2,1-3H3,(H,34,43)(H,36,37,38)/t26-,28+/m0/s1
Definition date:	2024-12-16
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	6-[(1-acetylazetidin-3-yl)amino]-N-[(2R)-2-hydroxy-2-{(3S)-7-[(4-methyl-1,3-oxazol-5-yl)methoxy]-1,2,3,4-tetrahydroisoquinolin-3-yl}ethyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide

A1BLM

A1BLM
Name:	pemrametostat
Formula:	C24 H32 N6 O3
SMILES:	CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NCC(O)CN1Cc2ccccc2CC1
InChi:	InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
Synonyms:	GSK3326595
Definition date:	2024-12-16
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide

A1BM8

A1BM8
Name:	(5E)-5-({(5P)-5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione
Formula:	C21 H18 F N5 O5 S
SMILES:	O=C1NC(=O)SC1=Cc1cc(ccc1F)c1nc(ccc1N(=O)=O)N1CCN(CC1)C(C)=O
InChi:	InChI=1S/C21H18FN5O5S/c1-12(28)25-6-8-26(9-7-25)18-5-4-16(27(31)32)19(23-18)13-2-3-15(22)14(10-13)11-17-20(29)24-21(30)33-17/h2-5,10-11H,6-9H2,1H3,(H,24,29,30)/b17-11+
Definition date:	2025-01-02
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	(5E)-5-({(5P)-5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione

A1BRA

A1BRA
Name:	5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide
Formula:	C19 H17 Cl N4 O4 S
SMILES:	Clc1cccc(c1)S(=O)(=O)COc1ncc(nc1C)C(=O)NCc1cccnc1
InChi:	InChI=1S/C19H17ClN4O4S/c1-13-19(28-12-29(26,27)16-6-2-5-15(20)8-16)23-11-17(24-13)18(25)22-10-14-4-3-7-21-9-14/h2-9,11H,10,12H2,1H3,(H,22,25)
Definition date:	2025-01-14
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide

A1BRB

A1BRB
Name:	5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide
Formula:	C20 H16 Cl F2 N5 O2
SMILES:	Clc1cccc(c1)C(F)(F)COc1cnc(cn1)C(=O)NC1(CC1)c1cnccn1
InChi:	InChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29)
Definition date:	2025-01-14
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide

A1BXE

A1BXE
Name:	N-(5-amino-2-methylphenyl)-3-methylbenzamide
Formula:	C15 H16 N2 O
SMILES:	O=C(Nc1cc(N)ccc1C)c1cccc(C)c1
InChi:	InChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)15(18)17-14-9-13(16)7-6-11(14)2/h3-9H,16H2,1-2H3,(H,17,18)
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	N-(5-amino-2-methylphenyl)-3-methylbenzamide

A1BXF

A1BXF
Name:	7,8-dichloro-2-methylquinolin-4-amine
Formula:	C10 H8 Cl2 N2
SMILES:	Clc1c(Cl)ccc2c(N)cc(C)nc12
InChi:	InChI=1S/C10H8Cl2N2/c1-5-4-8(13)6-2-3-7(11)9(12)10(6)14-5/h2-4H,1H3,(H2,13,14)
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	7,8-dichloro-2-methylquinolin-4-amine

A1BXQ

A1BXQ
Name:	[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone
Formula:	C23 H25 N3 O2
SMILES:	NC1CCN(C1)C(=O)c1ccccc1Cc1cccc2c1nc(C)cc2CO
InChi:	InChI=1S/C23H25N3O2/c1-15-11-18(14-27)20-8-4-6-17(22(20)25-15)12-16-5-2-3-7-21(16)23(28)26-10-9-19(24)13-26/h2-8,11,19,27H,9-10,12-14,24H2,1H3/t19-/m1/s1
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone

A1BXR

A1BXR
Name:	1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
Formula:	C17 H21 N3 O2
SMILES:	NC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO
InChi:	InChI=1S/C17H21N3O2/c1-11-7-13(10-21)15-4-2-3-12(17(15)19-11)8-16(22)20-6-5-14(18)9-20/h2-4,7,14,21H,5-6,8-10,18H2,1H3/t14-/m1/s1
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one

A1BXS

A1BXS
Name:	1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
Formula:	C18 H23 N3 O2
SMILES:	NCC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO
InChi:	InChI=1S/C18H23N3O2/c1-12-7-15(11-22)16-4-2-3-14(18(16)20-12)8-17(23)21-6-5-13(9-19)10-21/h2-4,7,13,22H,5-6,8-11,19H2,1H3/t13-/m0/s1
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one

A1BXV

A1BXV
Name:	N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
Formula:	C19 H25 N3 O2
SMILES:	Cc1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1
InChi:	InChI=1S/C19H25N3O2/c1-13-11-15(12-23)16-3-2-4-17(19(16)21-13)22-18(24)6-5-14-7-9-20-10-8-14/h2-4,11,14,20,23H,5-10,12H2,1H3,(H,22,24)
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide

WKO

WKO
Name:	2-O-acetyl-beta-D-xylopyranose
Formula:	C7 H12 O6
SMILES:	OC1OCC(O)C(O)C1OC(C)=O
InChi:	InChI=1S/C7H12O6/c1-3(8)13-6-5(10)4(9)2-12-7(6)11/h4-7,9-11H,2H2,1H3/t4-,5+,6-,7-/m1/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	2-O-acetyl-beta-D-xylopyranose

WKT

WKT
Name:	3-O-acetyl-beta-D-xylopyranose
Formula:	C7 H12 O6
SMILES:	OC1C(OC(C)=O)C(O)COC1O
InChi:	InChI=1S/C7H12O6/c1-3(8)13-6-4(9)2-12-7(11)5(6)10/h4-7,9-11H,2H2,1H3/t4-,5-,6+,7-/m1/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	3-O-acetyl-beta-D-xylopyranose

WL2

WL2
Name:	(1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Formula:	C10 H14 O4
SMILES:	Oc1ccc(cc1OC)C(O)CCO
InChi:	InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m0/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	(1S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

WL8

WL8
Name:	(1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Formula:	C10 H14 O4
SMILES:	Oc1ccc(cc1OC)C(O)CCO
InChi:	InChI=1S/C10H14O4/c1-14-10-6-7(2-3-9(10)13)8(12)4-5-11/h2-3,6,8,11-13H,4-5H2,1H3/t8-/m1/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	(1R)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

WLC

WLC
Name:	(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol
Formula:	C21 H26 O8
SMILES:	OCCC(O)c1cc2c(OC(C2CO)c2cc(OC)c(O)c(OC)c2)c(c1)OC
InChi:	InChI=1S/C21H26O8/c1-26-16-8-12(9-17(27-2)19(16)25)20-14(10-23)13-6-11(15(24)4-5-22)7-18(28-3)21(13)29-20/h6-9,14-15,20,22-25H,4-5,10H2,1-3H3/t14-,15+,20+/m1/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol

WLI

WLI
Name:	4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)
Formula:	C22 H26 O8
SMILES:	COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1
InChi:	InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14+,21-,22-/m1/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)

WLO

WLO
Name:	(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol
Formula:	C11 H16 O5
SMILES:	COc1cc(cc(OC)c1O)C(O)CCO
InChi:	InChI=1S/C11H16O5/c1-15-9-5-7(8(13)3-4-12)6-10(16-2)11(9)14/h5-6,8,12-14H,3-4H2,1-2H3/t8-/m0/s1
Definition date:	2023-10-06
Last modified:	2025-02-24
Release date:	2025-02-24
Identifier:	(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol

XOT

XOT
Name:	(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid
Formula:	C8 H8 N2 O2
SMILES:	O=C(O)c1n[NH]c2C3CC3Cc21
InChi:	InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
Synonyms:	MK 1903
Definition date:	2023-11-06
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid

YFU

YFU
Name:	1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one
Formula:	C32 H40 N4 O4
SMILES:	CCN1CCN(CC(=O)[CH]2Cc3ccccc3CN2)C(=O)c4ccc(cc14)C(=O)N5CCC6(CC5)CC(C6)OC
InChi:	InChI=1S/C32H40N4O4/c1-3-34-14-15-36(21-29(37)27-16-22-6-4-5-7-24(22)20-33-27)31(39)26-9-8-23(17-28(26)34)30(38)35-12-10-32(11-13-35)18-25(19-32)40-2/h4-9,17,25,27,33H,3,10-16,18-21H2,1-2H3/t27-/m0/s1
Definition date:	2023-11-30
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one

A1H6Z

A1H6Z
Name:	(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanal
Formula:	C8 H11 N3 O2
SMILES:	N[CH](Cc1ccc(N)nc1)C(O)=O
InChi:	InChI=1S/C8H11N3O2/c9-6(8(12)13)3-5-1-2-7(10)11-4-5/h1-2,4,6H,3,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1
Definition date:	2024-03-27
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanoic acid

A1H7V

A1H7V
Name:	(2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
Formula:	C18 H35 F O5
SMILES:	CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F
InChi:	InChI=1S/C18H35FO5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-15(19)17(22)16(21)14(13-20)24-18/h14-18,20-22H,2-13H2,1H3/t14-,15-,16-,17-,18-/m1/s1
Synonyms:	N-[1-[(2R,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide
Definition date:	2024-04-05
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol

XI9

XI9
Name:	(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole
Formula:	C8 H8 N6
SMILES:	[NH]1nc(c2nnn[NH]2)c2CC3CC3c12
InChi:	InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1
Definition date:	2023-11-02
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole

ZRN

ZRN
Name:	(2R,3S)-3-[(2S)-2-amino-4,4-diethyl-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
Formula:	C29 H36 N4 O5
SMILES:	OC1Cc2ccccc2C1NC(=O)c1cc2c(cc1)OC(C)(COC)C2N1C(=N)NC(CC)(CC)CC1=O
InChi:	InChI=1S/C29H36N4O5/c1-5-29(6-2)15-23(35)33(27(30)32-29)25-20-13-18(11-12-22(20)38-28(25,3)16-37-4)26(36)31-24-19-10-8-7-9-17(19)14-21(24)34/h7-13,21,24-25,34H,5-6,14-16H2,1-4H3,(H2,30,32)(H,31,36)/t21-,24-,25+,28+/m1/s1
Definition date:	2023-03-24
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(2R,3S)-3-[(2Z)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

V55

V55
Name:	4-hydroxy-3-methoxybenzaldehyde
Formula:	C8 H8 O3
SMILES:	O=Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
Synonyms:	p-vanillin
Definition date:	2008-04-29
Last modified:	2025-02-21
Identifier:	4-hydroxy-3-methoxybenzaldehyde

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