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A1IFQ

A1IFQ
Name:	(7~{S})-1-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)amino]-6,6-dimethyl-7-oxidanyl-7,8-dihydrobenzo[cd]indole-3-carboxylic acid
Formula:	C26 H24 N2 O5
SMILES:	CC1(C)[CH](O)Cc2n(c3ccc(O)cc3)c(Nc4ccc(O)cc4)c5c(ccc1c25)C(O)=O
InChi:	InChI=1S/C26H24N2O5/c1-26(2)19-12-11-18(25(32)33)22-23(19)20(13-21(26)31)28(15-5-9-17(30)10-6-15)24(22)27-14-3-7-16(29)8-4-14/h3-12,21,27,29-31H,13H2,1-2H3,(H,32,33)/t21-/m0/s1
Definition date:	2024-06-25
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	(7~{S})-1-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)amino]-6,6-dimethyl-7-oxidanyl-7,8-dihydrobenzo[cd]indole-3-carboxylic acid

A1BK0

A1BK0
Name:	1-ethyl-N-[3-(methanesulfonamido)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
Formula:	C14 H18 N4 O3 S
SMILES:	O=C(Nc1cccc(NS(C)(=O)=O)c1)c1cc(C)n(CC)n1
InChi:	InChI=1S/C14H18N4O3S/c1-4-18-10(2)8-13(16-18)14(19)15-11-6-5-7-12(9-11)17-22(3,20)21/h5-9,17H,4H2,1-3H3,(H,15,19)
Definition date:	2024-12-11
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	1-ethyl-N-[3-(methanesulfonamido)phenyl]-5-methyl-1H-pyrazole-3-carboxamide

A1BKY

A1BKY
Name:	N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
Formula:	C18 H15 Br N2 O3 S2
SMILES:	CS(=O)(=O)Nc1cc(cc(Br)c1)NC(=O)c1cc(cs1)c1ccccc1
InChi:	InChI=1S/C18H15BrN2O3S2/c1-26(23,24)21-16-9-14(19)8-15(10-16)20-18(22)17-7-13(11-25-17)12-5-3-2-4-6-12/h2-11,21H,1H3,(H,20,22)
Definition date:	2024-12-11
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	N-[3-bromo-5-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

A1BKZ

A1BKZ
Name:	N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide
Formula:	C18 H16 N2 O3 S2
SMILES:	CS(=O)(=O)Nc1cccc(c1)NC(=O)c1cc(cs1)c1ccccc1
InChi:	InChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)
Definition date:	2024-12-11
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

A1ATV

A1ATV
Name:	N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide
Formula:	C15 H16 F N O5 S
SMILES:	OS(F)(O)Oc1ccc(cc1)OCc1ccc(NC(C)=O)cc1
InChi:	InChI=1S/C15H16FNO5S/c1-11(18)17-13-4-2-12(3-5-13)10-21-14-6-8-15(9-7-14)22-23(16,19)20/h2-9,19-20H,10H2,1H3,(H,17,18)
Definition date:	2024-05-31
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	N-{4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}acetamide

A1ATW

A1ATW
Name:	N-(1-{3,5-difluoro-4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}-1H-1,2,4-triazol-3-yl)methanesulfonamide
Formula:	C16 H15 F3 N4 O6 S2
SMILES:	FS(O)(O)Oc1ccc(cc1)OCc1c(F)cc(cc1F)n1cnc(n1)NS(C)(=O)=O
InChi:	InChI=1S/C16H15F3N4O6S2/c1-30(24,25)22-16-20-9-23(21-16)10-6-14(17)13(15(18)7-10)8-28-11-2-4-12(5-3-11)29-31(19,26)27/h2-7,9,26-27H,8H2,1H3,(H,21,22)
Definition date:	2024-05-31
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	N-(1-{3,5-difluoro-4-[(4-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}phenoxy)methyl]phenyl}-1H-1,2,4-triazol-3-yl)methanesulfonamide

A1B6Y

A1B6Y
Name:	2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide
Formula:	C22 H23 F3 N4 O
SMILES:	Cc1cc2cc(ccc2nc1N)C(=O)N(CC(C)C)Cc1ccc(cn1)C(F)(F)F
InChi:	InChI=1S/C22H23F3N4O/c1-13(2)11-29(12-18-6-5-17(10-27-18)22(23,24)25)21(30)15-4-7-19-16(9-15)8-14(3)20(26)28-19/h4-10,13H,11-12H2,1-3H3,(H2,26,28)
Definition date:	2025-03-25
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	2-amino-3-methyl-N-(2-methylpropyl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}quinoline-6-carboxamide

WB3

WB3
Name:	(2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile
Formula:	C31 H32 N6 O3 S
SMILES:	Cc1cc(C=CC#N)cc(C)c1Oc1nc(nc2ncccc21)NC1CCN(Cc2ccc(cc2)S(C)(=O)=O)CC1
InChi:	InChI=1S/C31H32N6O3S/c1-21-18-24(6-4-14-32)19-22(2)28(21)40-30-27-7-5-15-33-29(27)35-31(36-30)34-25-12-16-37(17-13-25)20-23-8-10-26(11-9-23)41(3,38)39/h4-11,15,18-19,25H,12-13,16-17,20H2,1-3H3,(H,33,34,35,36)/b6-4+
Definition date:	2022-05-27
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	(2E)-3-[4-({2-[(1-{[4-(methanesulfonyl)phenyl]methyl}piperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl}oxy)-3,5-dimethylphenyl]prop-2-enenitrile

XQF

XQF
Name:	(2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[(2-chloranyl-2-fluoranyl-ethanoyl)-[4-(trifluoromethyloxy)phenyl]amino]-2-pyrimidin-5-yl-propanamide
Formula:	C22 H21 Cl F6 N4 O3
SMILES:	C[C](N(C(=O)[CH](F)Cl)c1ccc(OC(F)(F)F)cc1)(C(=O)NC2CCC(F)(F)CC2)c3cncnc3
InChi:	InChI=1S/C22H21ClF6N4O3/c1-20(13-10-30-12-31-11-13,19(35)32-14-6-8-21(25,26)9-7-14)33(18(34)17(23)24)15-2-4-16(5-3-15)36-22(27,28)29/h2-5,10-12,14,17H,6-9H2,1H3,(H,32,35)/t17-,20-/m1/s1
Definition date:	2023-11-08
Last modified:	2025-05-02
Release date:	2025-05-07
Identifier:	(2~{R})-~{N}-[4,4-bis(fluoranyl)cyclohexyl]-2-[(2-chloranyl-2-fluoranyl-ethanoyl)-[4-(trifluoromethyloxy)phenyl]amino]-2-pyrimidin-5-yl-propanamide

HBA

HBA
Name:	P-HYDROXYBENZALDEHYDE
Formula:	C7 H6 O2
SMILES:	O=Cc1ccc(O)cc1
InChi:	InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
Definition date:	1999-07-08
Last modified:	2025-04-30
Identifier:	4-hydroxybenzaldehyde

TAZ

TAZ
Name:	TAZOBACTAM
Formula:	C10 H12 N4 O5 S
SMILES:	O=S1(=O)C2CC(=O)N2C(C(=O)O)C1(C)Cn1ccnn1
InChi:	InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
Definition date:	2000-11-21
Last modified:	2025-04-30
Identifier:	(1S,2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda~6~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

2KA

2KA
Name:	2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
Formula:	C7 H6 N4 O3
SMILES:	O=C(O)c1cnc2N=C(N)NC(=O)c12
InChi:	InChI=1S/C7H6N4O3/c8-7-10-4-3(5(12)11-7)2(1-9-4)6(13)14/h1H,(H,13,14)(H4,8,9,10,11,12)
Definition date:	2013-11-14
Last modified:	2025-04-29
Release date:	2013-12-25
Identifier:	2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid

A1BNU

A1BNU
Name:	N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine
Formula:	C7 H13 N5
SMILES:	CN(CCN)c1ccnc(N)n1
InChi:	InChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11)
Definition date:	2025-01-08
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-2,4-diamine

A1BW2

A1BW2
Name:	(5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
Formula:	C23 H23 Cl2 F6 N3 O4 S
SMILES:	O=C(c1nc(sc1c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O)N1CCCC1C
InChi:	InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
Definition date:	2025-02-14
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

A1CAE

A1CAE
Name:	(1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate
Formula:	C22 H28 N4 O5 S
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC2(C)CC2)C1)Cc1ccc(cc1)S(C)(=O)=O
InChi:	InChI=1S/C22H28N4O5S/c1-22(9-10-22)24-21(28)31-16-6-5-15(12-16)18-13-19(26-25-18)23-20(27)11-14-3-7-17(8-4-14)32(2,29)30/h3-4,7-8,13,15-16H,5-6,9-12H2,1-2H3,(H,24,28)(H2,23,25,26,27)/t15-,16-/m1/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate

A1CAF

A1CAF
Name:	(1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate
Formula:	C21 H32 N4 O3
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C2CC2)C1)C1CCCCC1
InChi:	InChI=1S/C21H32N4O3/c1-13(14-7-8-14)22-21(27)28-17-10-9-16(11-17)18-12-19(25-24-18)23-20(26)15-5-3-2-4-6-15/h12-17H,2-11H2,1H3,(H,22,27)(H2,23,24,25,26)/t13-,16+,17+/m0/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate

A1CAH

A1CAH
Name:	(1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate
Formula:	C19 H24 N6 O3
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C2CC2)C1)c1cnccn1
InChi:	InChI=1S/C19H24N6O3/c1-11(12-2-3-12)22-19(27)28-14-5-4-13(8-14)15-9-17(25-24-15)23-18(26)16-10-20-6-7-21-16/h6-7,9-14H,2-5,8H2,1H3,(H,22,27)(H2,23,24,25,26)/t11-,13+,14+/m0/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate

A1CAI

A1CAI
Name:	(1R,3R)-3-{3-[2-(4-methoxyphenyl)acetamido]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate
Formula:	C21 H28 N4 O4
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C)C1)Cc1ccc(OC)cc1
InChi:	InChI=1S/C21H28N4O4/c1-13(2)22-21(27)29-17-9-6-15(11-17)18-12-19(25-24-18)23-20(26)10-14-4-7-16(28-3)8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t15-,17-/m1/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-{3-[2-(4-methoxyphenyl)acetamido]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate

A1D8V

A1D8V
Name:	5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine
Formula:	C9 H11 Cl N2 O
SMILES:	Clc1ccc(OC[CH]2CCN2)cn1
InChi:	InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
Definition date:	2024-06-07
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine

A1IKA

A1IKA
Name:	[(S)-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid
Formula:	C16 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2sc3ccccc3c2)[P](O)(O)=O
InChi:	InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1
Synonyms:	((Benzo[b]thiophene-2-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid
Definition date:	2024-08-06
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{S})-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid

A1ILE

A1ILE
Name:	1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone
Formula:	C9 H15 N3 O3
SMILES:	CC(=O)N1CN(CN(C1)C(C)=O)C(C)=O
InChi:	InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3
Definition date:	2024-08-15
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone

A1H8Q

A1H8Q
Name:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide
Formula:	C8 H9 N5 O S
SMILES:	CCn1nnc(NC(=O)c2sccc2)n1
InChi:	InChI=1S/C8H9N5OS/c1-2-13-11-8(10-12-13)9-7(14)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,9,11,14)
Definition date:	2024-04-18
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide

A1H8U

A1H8U
Name:	[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid
Formula:	C13 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)Cc2cscc2)[P](O)(O)=O
InChi:	InChI=1S/C13H14NO5PS/c15-11-4-2-1-3-10(11)13(20(17,18)19)14-12(16)7-9-5-6-21-8-9/h1-6,8,13,15H,7H2,(H,14,16)(H2,17,18,19)/t13-/m0/s1
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid

A1H8V

A1H8V
Name:	[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid
Formula:	C16 H18 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2scc3CCCCc23)[P](O)(O)=O
InChi:	InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid

A1H8Y

A1H8Y
Name:	1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea
Formula:	C30 H43 N3 O5
SMILES:	COc1cc2[CH]3CC4(C)C[CH](CC(C3)(C4)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6)c2cc1OC
InChi:	InChI=1S/C30H43N3O5/c1-29-14-20-16-30(18-29,17-21(15-29)24-13-26(37-3)25(36-2)12-23(20)24)32-28(35)31-22-4-8-33(9-5-22)27(34)19-6-10-38-11-7-19/h12-13,19-22H,4-11,14-18H2,1-3H3,(H2,31,32,35)/t20-,21+,29-,30-
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30

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