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A1L6C

A1L6C
Name:	7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
Formula:	C31 H27 Cl3 F N7 O2
SMILES:	CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CCN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(Cl)cc(Cl)c5F)C#N
InChi:	InChI=1S/C31H27Cl3FN7O2/c1-5-22(43)40-8-10-41(11-9-40)29-17-12-21(34)27(23-24(35)19(32)13-20(33)25(23)37)39-30(17)42(31(44)18(29)14-36)28-16(4)6-7-38-26(28)15(2)3/h5-7,12-13,15H,1,8-11,37H2,2-4H3
Definition date:	2024-11-26
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile

A1A7V

A1A7V
Name:	S-lactoyl-L-cysteine
Formula:	C6 H11 N O4 S
SMILES:	OC(=O)C(N)CSC(=O)C(C)O
InChi:	InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4-/m0/s1
Synonyms:	S-[(2S)-2-hydroxypropanoyl]-L-cysteine
Definition date:	2024-09-17
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	S-[(2S)-2-hydroxypropanoyl]-L-cysteine

V8X

V8X
Name:	N-[(2S)-3-cyclopropyl-1-({(1E,2R)-1-imino-3-[(3R)-2-oxo-2,3-dihydropyridin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
Formula:	C23 H23 F2 N5 O3
SMILES:	O=C1N=CCC=C1CC(C=N)NC(=O)C(CC1CC1)NC(=O)c1cc2cc(F)cc(F)c2[NH]1
InChi:	InChI=1S/C23H23F2N5O3/c24-15-7-14-9-19(29-20(14)17(25)10-15)23(33)30-18(6-12-3-4-12)22(32)28-16(11-26)8-13-2-1-5-27-21(13)31/h2,5,7,9-12,16,18,26,29H,1,3-4,6,8H2,(H,28,32)(H,30,33)/b26-11+/t16-,18+/m1/s1
Definition date:	2023-09-11
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	N-[(2S)-3-cyclopropyl-1-{[(1E,2R)-1-imino-3-(2-oxo-2,5-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide

A1LZZ

A1LZZ
Name:	(4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide
Formula:	C26 H37 N7 O2
SMILES:	CN1CC[CH](C[CH](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5
InChi:	InChI=1S/C26H37N7O2/c1-30-11-9-19(25(34)27-20-7-5-4-6-8-20)13-18(14-30)15-33-17-22-24(29-33)21(16-31(2)26(22)35)23-10-12-32(3)28-23/h10,12,16-20H,4-9,11,13-15H2,1-3H3,(H,27,34)/t18-,19-/m0/s1
Definition date:	2024-04-01
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	(4~{R},6~{S})-~{N}-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide

X92

X92
Name:	Ramiprilat
Formula:	C21 H28 N2 O5
SMILES:	C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O
InChi:	InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
Definition date:	2010-03-14
Last modified:	2025-03-05
Identifier:	(2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid

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

A1AOZ

A1AOZ
Name:	(5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one
Formula:	C25 H27 F N2 O2
SMILES:	OC1=C(C(c2ccccc2)c2[NH]c3ccc(F)cc3c2C(C)C)C(=O)NC1C(C)C
InChi:	InChI=1S/C25H27FN2O2/c1-13(2)19-17-12-16(26)10-11-18(17)27-23(19)20(15-8-6-5-7-9-15)21-24(29)22(14(3)4)28-25(21)30/h5-14,20,22,27,29H,1-4H3,(H,28,30)/t20-,22+/m0/s1
Definition date:	2024-04-19
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	(5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one

A1AWY

A1AWY
Name:	3-bromo-3-oxopropanoic acid
Formula:	C3 H3 Br O3
SMILES:	BrC(=O)CC(=O)O
InChi:	InChI=1S/C3H3BrO3/c4-2(5)1-3(6)7/h1H2,(H,6,7)
Definition date:	2024-07-10
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	3-bromo-3-oxopropanoic acid

A1A5V

A1A5V
Name:	(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
Formula:	C19 H27 N7 O
SMILES:	COC1CCN(CC1)c1nccc(Nc2cc3n(c(C)cn3n2)C(C)C)n1
InChi:	InChI=1S/C19H27N7O/c1-13(2)26-14(3)12-25-18(26)11-17(23-25)21-16-5-8-20-19(22-16)24-9-6-15(27-4)7-10-24/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,20,21,22,23)
Synonyms:	AUR-3418
Definition date:	2024-09-10
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine

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

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

A1BNZ

A1BNZ
Name:	(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide
Formula:	C21 H23 F N2 O2
SMILES:	O=C(C(Cc1ccc(F)cc1)c1ccccc1)N1CCCC(C1)C(N)=O
InChi:	InChI=1S/C21H23FN2O2/c22-18-10-8-15(9-11-18)13-19(16-5-2-1-3-6-16)21(26)24-12-4-7-17(14-24)20(23)25/h1-3,5-6,8-11,17,19H,4,7,12-14H2,(H2,23,25)/t17-,19-/m0/s1
Definition date:	2025-01-10
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2S)-3-(4-fluorophenyl)-2-phenylpropanoyl]piperidine-3-carboxamide

A1BTI

A1BTI
Name:	(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide
Formula:	C16 H22 N2 O3
SMILES:	O=C(Cc1ccccc1OC)N1CCCCC(C1)C(N)=O
InChi:	InChI=1S/C16H22N2O3/c1-21-14-8-3-2-6-12(14)10-15(19)18-9-5-4-7-13(11-18)16(17)20/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H2,17,20)/t13-/m0/s1
Definition date:	2025-01-15
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide

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

A1BGQ

A1BGQ
Name:	N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide
Formula:	C22 H27 N3 O2
SMILES:	O=C(C(Cc1ccc(CN)cc1)NC(=O)c1ccccc1)N1CCCCC1
InChi:	InChI=1S/C22H27N3O2/c23-16-18-11-9-17(10-12-18)15-20(22(27)25-13-5-2-6-14-25)24-21(26)19-7-3-1-4-8-19/h1,3-4,7-12,20H,2,5-6,13-16,23H2,(H,24,26)/t20-/m0/s1
Definition date:	2024-11-11
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	N-[(2S)-3-[4-(aminomethyl)phenyl]-1-oxo-1-(piperidin-1-yl)propan-2-yl]benzamide

A1BGR

A1BGR
Name:	N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
Formula:	C16 H18 Cl N3 O5
SMILES:	O=C(Nc1cc(cc(Cl)c1)C(=O)NC(C)(C)CO)C1=CC(=O)N(C)O1
InChi:	InChI=1S/C16H18ClN3O5/c1-16(2,8-21)19-14(23)9-4-10(17)6-11(5-9)18-15(24)12-7-13(22)20(3)25-12/h4-7,21H,8H2,1-3H3,(H,18,24)(H,19,23)
Definition date:	2024-11-11
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide

A1BGU

A1BGU
Name:	N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
Formula:	C15 H18 N6 O
SMILES:	O=C(Nc1cn(C)nc1)c1ccc2nc(NC(C)C)[NH]c2c1
InChi:	InChI=1S/C15H18N6O/c1-9(2)17-15-19-12-5-4-10(6-13(12)20-15)14(22)18-11-7-16-21(3)8-11/h4-9H,1-3H3,(H,18,22)(H2,17,19,20)
Definition date:	2024-11-11
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide

A1BGV

A1BGV
Name:	N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide
Formula:	C16 H18 N6 O2
SMILES:	NC(=O)c1cc(c[NH]1)NC(=O)c1ccc2nc(NC(C)C)[NH]c2c1
InChi:	InChI=1S/C16H18N6O2/c1-8(2)19-16-21-11-4-3-9(5-12(11)22-16)15(24)20-10-6-13(14(17)23)18-7-10/h3-8,18H,1-2H3,(H2,17,23)(H,20,24)(H2,19,21,22)
Definition date:	2024-11-11
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	N-(5-carbamoyl-1H-pyrrol-3-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide

A1BHC

A1BHC
Name:	3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
Formula:	C21 H28 Cl N3 O3
SMILES:	Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O)NC(C)(C)CO
InChi:	InChI=1S/C21H28ClN3O3/c1-21(2,13-26)24-20(28)15-8-17(22)10-18(9-15)23-11-14-5-6-19(27)16(7-14)12-25(3)4/h5-10,23,26-27H,11-13H2,1-4H3,(H,24,28)
Definition date:	2024-11-11
Last modified:	2025-02-21
Release date:	2025-02-26
Identifier:	3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

3CN

3CN
Name:	3-AMINOPROPANE
Formula:	C3 H9 N
SMILES:	NCCC
InChi:	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
Definition date:	1999-11-01
Last modified:	2025-02-19
Identifier:	propan-1-amine

A1D7R

A1D7R
Name:	(2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid
Formula:	C16 H20 N2 O2
SMILES:	CC(C)=CCc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1
InChi:	InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-13-12(8-14(17)16(19)20)9-18-15(13)7-11/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1
Synonyms:	6-dimethylallyl-L-tryptophan
Definition date:	2024-04-12
Last modified:	2025-02-14
Release date:	2025-02-19
Identifier:	(2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid

A1BQZ

A1BQZ
Name:	6-propanoyl-2H-1,4-benzoxazin-3(4H)-one
Formula:	C11 H11 N O3
SMILES:	CCC(=O)c1ccc2OCC(=O)Nc2c1
InChi:	InChI=1S/C11H11NO3/c1-2-9(13)7-3-4-10-8(5-7)12-11(14)6-15-10/h3-5H,2,6H2,1H3,(H,12,14)
Definition date:	2025-01-14
Last modified:	2025-02-07
Release date:	2025-02-12
Identifier:	6-propanoyl-2H-1,4-benzoxazin-3(4H)-one

A1BV9

A1BV9
Name:	[(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C32 H33 F N2 O3
SMILES:	FCCCN1C=CC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C32H33FN2O3/c33-16-4-17-34-18-13-23(21-34)22-38-28-10-7-24(8-11-28)30-29-12-9-27(36)19-26(29)20-32(14-15-32)35(30)31(37)25-5-2-1-3-6-25/h1-3,5-13,18-19,23,30,36H,4,14-17,20-22H2/t23-,30+/m0/s1
Definition date:	2025-02-05
Last modified:	2025-02-07
Release date:	2025-02-12
Identifier:	[(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

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