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A1L1Z

A1L1Z
Name:	Herbacetin
Formula:	C15 H10 O7
SMILES:	Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)c(O)c3O2
InChi:	InChI=1S/C15H10O7/c16-7-3-1-6(2-4-7)14-13(21)12(20)10-8(17)5-9(18)11(19)15(10)22-14/h1-5,16-19,21H
Synonyms:	2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one
Definition date:	2024-05-23
Last modified:	2025-05-23
Release date:	2025-05-28
Identifier:	2-(4-hydroxyphenyl)-3,5,7,8-tetrakis(oxidanyl)chromen-4-one

A1L3F

A1L3F
Name:	(5-chloranylpyridin-2-yl)methanamine
Formula:	C6 H7 Cl N2
SMILES:	NCc1ccc(Cl)cn1
InChi:	InChI=1S/C6H7ClN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3,8H2
Definition date:	2024-08-02
Last modified:	2025-05-23
Release date:	2025-05-28
Identifier:	(5-chloranylpyridin-2-yl)methanamine

A1L4H

A1L4H
Name:	4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide
Formula:	C28 H39 N3 O3
SMILES:	C[CH]1CN(CCN1)Cc2ccc(cc2C)N(C)C(=O)[CH]3CC[CH](CC3)Oc4cccc(CO)c4
InChi:	InChI=1S/C28H39N3O3/c1-20-15-25(10-7-24(20)18-31-14-13-29-21(2)17-31)30(3)28(33)23-8-11-26(12-9-23)34-27-6-4-5-22(16-27)19-32/h4-7,10,15-16,21,23,26,29,32H,8-9,11-14,17-19H2,1-3H3/t21-,23-,26-/m0/s1
Synonyms:	DS-3801b
Definition date:	2024-10-01
Last modified:	2025-05-23
Release date:	2025-05-28
Identifier:	4-[3-(hydroxymethyl)phenoxy]-~{N}-methyl-~{N}-[3-methyl-4-[[(3~{S})-3-methylpiperazin-1-yl]methyl]phenyl]cyclohexane-1-carboxamide

A1LVE

A1LVE
Name:	(3S,6S)-3-(2-methylpropyl)-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione
Formula:	C12 H22 N2 O3
SMILES:	CC(C)C[CH]1NC(=O)[CH](NC1=O)[CH](C)CCO
InChi:	InChI=1S/C12H22N2O3/c1-7(2)6-9-11(16)14-10(12(17)13-9)8(3)4-5-15/h7-10,15H,4-6H2,1-3H3,(H,13,17)(H,14,16)
Definition date:	2023-12-20
Last modified:	2025-05-23
Release date:	2025-05-28
Identifier:	(3~{S},6~{S})-3-(2-methylpropyl)-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione

A1A8O

A1A8O
Name:	(2S)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Formula:	C25 H27 Cl2 N5 O
SMILES:	NC(C(=O)N1CCCC1)C1CCN(CC1)c1nccc2c1cccc2c1ncc(Cl)cc1Cl
InChi:	InChI=1S/C25H27Cl2N5O/c26-17-14-21(27)23(30-15-17)19-4-3-5-20-18(19)6-9-29-24(20)31-12-7-16(8-13-31)22(28)25(33)32-10-1-2-11-32/h3-6,9,14-16,22H,1-2,7-8,10-13,28H2/t22-/m0/s1
Definition date:	2024-09-20
Last modified:	2025-05-23
Release date:	2025-05-28
Identifier:	(2S)-2-amino-2-{1-[(5M)-5-(3,5-dichloropyridin-2-yl)isoquinolin-1-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one

U6L

U6L
Name:	(1~{R})-1-(3-ethylphenyl)ethane-1,2-diol
Formula:	C10 H14 O2
SMILES:	CCc1cccc(c1)[CH](O)CO
InChi:	InChI=1S/C10H14O2/c1-2-8-4-3-5-9(6-8)10(12)7-11/h3-6,10-12H,2,7H2,1H3/t10-/m0/s1
Synonyms:	SCHEMBL24015313
Definition date:	2023-09-05
Last modified:	2025-05-23
Release date:	2025-05-28
Identifier:	(1~{R})-1-(3-ethylphenyl)ethane-1,2-diol

DXU

DXU
Name:	Dicloxacillin, open form
Formula:	C19 H25 Cl2 N3 O5 S
SMILES:	O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C
InChi:	InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1
Synonyms:	dicloxacillin - open form
Definition date:	2014-08-25
Last modified:	2025-05-21
Release date:	2014-09-17
Identifier:	(3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide

F6Z

F6Z
Name:	3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-5-CARBOXYLIC ACID
Formula:	C21 H12 O7
SMILES:	O=C(O)c1cc2c(cc1)C4(OC2=O)c5ccc(O)cc5Oc3cc(O)ccc34
InChi:	InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)
Definition date:	2010-07-30
Last modified:	2025-05-21
Identifier:	3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

A
Name:	ADENOSINE-5'-MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-05-20
Identifier:	5'-adenylic acid

PDC

PDC
Name:	PYRIDINE-2,6-DICARBOXYLIC ACID
Formula:	C7 H5 N O4
SMILES:	O=C(O)c1nc(C(=O)O)ccc1
InChi:	InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
Synonyms:	DIPICOLINIC ACID
Definition date:	1999-07-08
Last modified:	2025-05-20
Identifier:	pyridine-2,6-dicarboxylic acid

QOL

QOL
Name:	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde
Formula:	C14 H16 N2 O5
SMILES:	Nc1cccc2c(OCC(CO)CO)cc(nc12)C(O)=O
InChi:	InChI=1S/C14H16N2O5/c15-10-3-1-2-9-12(21-7-8(5-17)6-18)4-11(14(19)20)16-13(9)10/h1-4,8,17-18H,5-7,15H2,(H,19,20)
Definition date:	2016-06-03
Last modified:	2025-05-19
Release date:	2017-06-21
Identifier:	8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carboxylic acid

A1BNO

A1BNO
Name:	(2S)-2-{3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-{6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-yl}propanamide
Formula:	C23 H19 F3 N10 O4
SMILES:	Cc1nc(CN2C(=O)N(C)c3ncn(C(C)C(=O)Nc4cccc(n4)c4cnc(nc4)C(F)(F)F)c3C2=O)on1
InChi:	InChI=1S/C23H19F3N10O4/c1-11(19(37)32-15-6-4-5-14(31-15)13-7-27-21(28-8-13)23(24,25)26)36-10-29-18-17(36)20(38)35(22(39)34(18)3)9-16-30-12(2)33-40-16/h4-8,10-11H,9H2,1-3H3,(H,31,32,37)
Definition date:	2025-01-06
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	(2S)-2-{3-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl}-N-{6-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-2-yl}propanamide

A1BNY

A1BNY
Name:	2-hydroxy-3,5-dinitrobenzoic acid
Formula:	C7 H4 N2 O7
SMILES:	O=[N+]([O-])c1cc(cc(C(=O)O)c1O)[N+]([O-])=O
InChi:	InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
Synonyms:	3,5-Dinitrosalicylic acid
Definition date:	2025-01-10
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	2-hydroxy-3,5-dinitrobenzoic acid

A1BVY

A1BVY
Name:	1-phenyl-1H-tetrazole
Formula:	C7 H6 N4
SMILES:	c1ccc(cc1)n1cnnn1
InChi:	InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H
Definition date:	2025-02-03
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	1-phenyl-1H-tetrazole

A1BVZ

A1BVZ
Name:	2-acetylbenzoic acid
Formula:	C9 H8 O3
SMILES:	OC(=O)c1ccccc1C(C)=O
InChi:	InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
Definition date:	2025-02-03
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	2-acetylbenzoic acid

A1D9S

A1D9S
Name:	3-carbamimidamidopropanoic acid
Formula:	C4 H9 N3 O2
SMILES:	NC(=N)NCCC(O)=O
InChi:	InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
Synonyms:	beta-Guanidinopropionic acid
Definition date:	2024-07-09
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	3-carbamimidamidopropanoic acid

A1EBP

A1EBP
Name:	(3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Formula:	C11 H18 N2 O2
SMILES:	CC(C)C[CH]1NC(=O)[CH]2CCCN2C1=O
InChi:	InChI=1S/C11H18N2O2/c1-7(2)6-8-11(15)13-5-3-4-9(13)10(14)12-8/h7-9H,3-6H2,1-2H3,(H,12,14)/t8-,9-/m0/s1
Synonyms:	Cyclo(L-Leu-L-Pro)
Definition date:	2024-09-09
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	(3~{S},8~{a}~{S})-3-(2-methylpropyl)-2,3,6,7,8,8~{a}-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

A1EFV

A1EFV
Name:	2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoic acid
Formula:	C18 H19 N O4
SMILES:	CCN(CC)c1ccc(c(O)c1)C(=O)c2ccccc2C(O)=O
InChi:	InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)
Definition date:	2024-11-15
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	2-[4-(diethylamino)-2-oxidanyl-phenyl]carbonylbenzoic acid

A1EGF

A1EGF
Name:	forazoline C
Formula:	C26 H36 N2 O5 S3
SMILES:	CC=C(C)[CH]1CC=CC=C(C)CC[CH](O)[C](C)(O)C(=S)C=C2N[C](C)([CH](O)S2)C3=N[CH](CS3)C(=O)O1
InChi:	InChI=1S/C26H36N2O5S3/c1-6-16(3)18-10-8-7-9-15(2)11-12-19(29)26(5,32)20(34)13-21-28-25(4,24(31)36-21)23-27-17(14-35-23)22(30)33-18/h6-9,13,17-19,24,28-29,31-32H,10-12,14H2,1-5H3/b8-7+,15-9+,16-6+,21-13+/t17-,18+,19+,24-,25-,26+/m0/s1
Definition date:	2024-11-25
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	(1~{S},5~{R},8~{R},12~{E},16~{R},17~{R},19~{E},22~{S})-8-[(~{E})-but-2-en-2-yl]-1,13,17-trimethyl-16,17,22-tris(oxidanyl)-18-sulfanylidene-7-oxa-3,21-dithia-23,24-diazatricyclo[18.2.1.1^{2,5}]tetracosa-2(24),10,12,19-tetraen-6-one

A1EIE

A1EIE
Name:	VE-822
Formula:	C24 H25 N5 O3 S
SMILES:	CNCc1ccc(cc1)c2cc(on2)c3nc(cnc3N)c4ccc(cc4)[S](=O)(=O)C(C)C
InChi:	InChI=1S/C24H25N5O3S/c1-15(2)33(30,31)19-10-8-18(9-11-19)21-14-27-24(25)23(28-21)22-12-20(29-32-22)17-6-4-16(5-7-17)13-26-3/h4-12,14-15,26H,13H2,1-3H3,(H2,25,27)
Synonyms:	Berzosertib
Definition date:	2024-12-25
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

A1EIK

A1EIK
Name:	RP-3500
Formula:	C21 H26 N6 O3
SMILES:	C[CH]1COCCN1c2cc(c3cnn(c4cc[nH]n4)c3n2)[C]5(O)C[CH]6CC[CH](C5)O6
InChi:	InChI=1S/C21H26N6O3/c1-13-12-29-7-6-26(13)19-8-17(21(28)9-14-2-3-15(10-21)30-14)16-11-23-27(20(16)24-19)18-4-5-22-25-18/h4-5,8,11,13-15,28H,2-3,6-7,9-10,12H2,1H3,(H,22,25)/t13-,14-,15+,21+/m1/s1
Definition date:	2024-12-26
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	(1~{S},5~{R})-3-[6-[(3~{R})-3-methylmorpholin-4-yl]-1-(1~{H}-pyrazol-3-yl)pyrazolo[3,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol

YO0

YO0
Name:	1-[7-[1,5-dimethyl-3-(phenoxymethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indol-2-yl]-2,2-bis(oxidanyl)ethanone
Formula:	C35 H33 N3 O5
SMILES:	Cn1nc(COc2ccccc2)c(c1C)c3cccc4c(CCCOc5cccc6ccccc56)c([nH]c34)C(=O)C(O)O
InChi:	InChI=1S/C35H33N3O5/c1-22-31(29(37-38(22)2)21-43-24-13-4-3-5-14-24)28-17-9-16-26-27(33(36-32(26)28)34(39)35(40)41)18-10-20-42-30-19-8-12-23-11-6-7-15-25(23)30/h3-9,11-17,19,35-36,40-41H,10,18,20-21H2,1-2H3
Definition date:	2023-12-07
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	1-[7-[1,5-dimethyl-3-(phenoxymethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indol-2-yl]-2,2-bis(oxidanyl)ethanone

A1IJF

A1IJF
Name:	2-[(4Z)-2-(aminomethyl)-4-[(3-azanyl-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula:	C13 H14 N4 O4
SMILES:	NCC1=NC(=Cc2ccc(O)c(N)c2)C(=O)N1CC(O)=O
InChi:	InChI=1S/C13H14N4O4/c14-5-11-16-9(13(21)17(11)6-12(19)20)4-7-1-2-10(18)8(15)3-7/h1-4,18H,5-6,14-15H2,(H,19,20)/b9-4-
Synonyms:	GLYCEROL
Definition date:	2024-07-30
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	2-[(4~{Z})-2-(aminomethyl)-4-[(3-azanyl-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid

A1IVL

A1IVL
Name:	1-[(~{E})-(5-methoxy-1~{H}-indol-3-yl)methylideneamino]-3-pentyl-guanidine
Formula:	C16 H23 N5 O
SMILES:	CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12
InChi:	InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+
Definition date:	2024-12-02
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	1-[(~{E})-(5-methoxy-1~{H}-indol-3-yl)methylideneamino]-3-pentyl-guanidine

A1IVU

A1IVU
Name:	~{N}-(3,4-dichlorophenyl)pyridin-4-amine
Formula:	C11 H8 Cl2 N2
SMILES:	Clc1ccc(Nc2ccncc2)cc1Cl
InChi:	InChI=1S/C11H8Cl2N2/c12-10-2-1-9(7-11(10)13)15-8-3-5-14-6-4-8/h1-7H,(H,14,15)
Definition date:	2024-12-05
Last modified:	2025-05-16
Release date:	2025-05-21
Identifier:	~{N}-(3,4-dichlorophenyl)pyridin-4-amine

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