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VVE

VVE
Name:	3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile
Formula:	C25 H19 Cl2 N3 O4
SMILES:	N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1c2ccccc2N(C(=O)CC)C1=O
InChi:	InChI=1S/C25H19Cl2N3O4/c1-2-24(31)30-21-6-4-3-5-20(21)29(25(30)32)9-10-33-23-14-17(26)7-8-22(23)34-19-12-16(15-28)11-18(27)13-19/h3-8,11-14H,2,9-10H2,1H3
Definition date:	2023-09-19
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-chloro-5-{4-chloro-2-[2-(2-oxo-3-propanoyl-2,3-dihydro-1H-benzimidazol-1-yl)ethoxy]phenoxy}benzonitrile

ZSC

ZSC
Name:	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C10 H11 N O6 S
SMILES:	O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C
InChi:	InChI=1S/C10H11NO6S/c1-11(18(2,16)17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
Definition date:	2011-12-08
Last modified:	2023-11-03
Release date:	2012-11-16
Identifier:	5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

XY1

XY1
Name:	4-[(E)-[5-(2-azanylethyl)-2-oxidanyl-phenyl]diazenyl]benzoic acid
Formula:	C15 H15 N3 O3
SMILES:	O=C(O)c2ccc(/N=N/c1cc(ccc1O)CCN)cc2
InChi:	InChI=1S/C15H15N3O3/c16-8-7-10-1-6-14(19)13(9-10)18-17-12-4-2-11(3-5-12)15(20)21/h1-6,9,19H,7-8,16H2,(H,20,21)/b18-17+
Synonyms:	4-[5-(2-Aminoethyl)-2-hydroxyphenylazo]-benzoic acid
Definition date:	2013-03-12
Last modified:	2023-11-03
Release date:	2014-03-26
Identifier:	4-{(E)-[5-(2-aminoethyl)-2-hydroxyphenyl]diazenyl}benzoic acid

USC

USC
Name:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
Formula:	C9 H9 N O6 S
SMILES:	O=S(=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C
InChi:	InChI=1S/C9H9NO6S/c1-17(15,16)10-7-3-5(8(11)12)2-6(4-7)9(13)14/h2-4,10H,1H3,(H,11,12)(H,13,14)
Definition date:	2011-12-08
Last modified:	2023-11-03
Release date:	2013-01-11
Identifier:	5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid

VQ0

VQ0
Name:	3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile
Formula:	C19 H12 Cl3 N3 O4
SMILES:	N#Cc1cc(cc(Cl)c1)Oc1ccc(Cl)cc1OCCN1C=C(Cl)C(=O)NC1=O
InChi:	InChI=1S/C19H12Cl3N3O4/c20-12-1-2-16(29-14-6-11(9-23)5-13(21)7-14)17(8-12)28-4-3-25-10-15(22)18(26)24-19(25)27/h1-2,5-8,10H,3-4H2,(H,24,26,27)
Definition date:	2023-09-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile

LKI

LKI
Name:	3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
Formula:	C12 H11 Cl N2 O2 S
SMILES:	O=S(=O)(Nc1cnccc1C)c1cccc(Cl)c1
InChi:	InChI=1S/C12H11ClN2O2S/c1-9-5-6-14-8-12(9)15-18(16,17)11-4-2-3-10(13)7-11/h2-8,15H,1H3
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide

LQU

LQU
Name:	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
Formula:	C18 H16 N2 O
SMILES:	N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile

MN2

MN2
Name:	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE
Formula:	C11 H17 N2 O2
SMILES:	O=C(O)CCNCc1ccc(cc1)C[NH3+]
InChi:	InChI=1S/C11H16N2O2/c12-7-9-1-3-10(4-2-9)8-13-6-5-11(14)15/h1-4,13H,5-8,12H2,(H,14,15)/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(4-{[(2-carboxyethyl)amino]methyl}phenyl)methanaminium

MN7

MN7
Name:	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE
Formula:	C12 H17 N O2
SMILES:	O=C(O)c1ccc(cc1)CNCC(C)C
InChi:	InChI=1S/C12H17NO2/c1-9(2)7-13-8-10-3-5-11(6-4-10)12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-{[(2-methylpropyl)amino]methyl}benzoic acid

7SF

7SF
Name:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid
Formula:	C7 H4 Cl F3 O3 S
SMILES:	O[S](=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F
InChi:	InChI=1S/C7H4ClF3O3S/c8-6-2-1-4(15(12,13)14)3-5(6)7(9,10)11/h1-3H,(H,12,13,14)
Definition date:	2022-02-28
Last modified:	2023-11-03
Release date:	2022-10-05
Identifier:	4-chloranyl-3-(trifluoromethyl)benzenesulfonic acid

BBS

BBS
Name:	4-TERT-BUTYLBENZENESULFONIC ACID
Formula:	C10 H14 O3 S
SMILES:	O=S(=O)(O)c1ccc(cc1)C(C)(C)C
InChi:	InChI=1S/C10H14O3S/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
Definition date:	2000-03-31
Last modified:	2023-11-03
Identifier:	4-tert-butylbenzenesulfonic acid

BET

BET
Name:	TRIMETHYL GLYCINE
Formula:	C5 H12 N O2
SMILES:	O=C(O)C[N+](C)(C)C
InChi:	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	carboxy-N,N,N-trimethylmethanaminium

BF6

BF6
Name:	[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C20 H17 N3 O4
SMILES:	C(=C1N=C(CN)N(CC(O)=O)C1=O)c3ccc(C(c2ccccc2)=O)cc3
InChi:	InChI=1S/C20H17N3O4/c21-11-17-22-16(20(27)23(17)12-18(24)25)10-13-6-8-15(9-7-13)19(26)14-4-2-1-3-5-14/h1-10H,11-12,21H2,(H,24,25)/b16-10-
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2018-12-20
Last modified:	2023-11-03
Release date:	2019-01-30
Identifier:	[(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

BF9

BF9
Name:	[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Formula:	C22 H21 N3 O5
SMILES:	c1ccccc1C(c3ccc(C=C2C(N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O
InChi:	InChI=1S/C22H21N3O5/c1-13(26)19(23)21-24-17(22(30)25(21)12-18(27)28)11-14-7-9-16(10-8-14)20(29)15-5-3-2-4-6-15/h2-11,13,19,26H,12,23H2,1H3,(H,27,28)/b17-11-/t13-,19-/m0/s1
Synonyms:	PEPTIDE DERIVED CHROMOPHORE
Definition date:	2018-12-19
Last modified:	2023-11-03
Release date:	2019-01-30
Identifier:	[(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

PM3

PM3
Name:	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-PROPIONIC ACID
Formula:	C10 H14 N O5 P
SMILES:	O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O
InChi:	InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1
Definition date:	2006-05-03
Last modified:	2023-11-03
Identifier:	4-(phosphonomethyl)-L-phenylalanine

Q5K

Q5K
Name:	(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
Formula:	C19 H16 F N3 O4 S
SMILES:	OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChi:	InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
Definition date:	2023-08-18
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide

00S

00S
Name:	4-(aminomethyl)benzenecarboximidamide
Formula:	C8 H11 N3
SMILES:	[N@H]=C(c1ccc(cc1)CN)N
InChi:	InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
Definition date:	2010-11-12
Last modified:	2023-11-03
Identifier:	4-(aminomethyl)benzenecarboximidamide

T70

T70
Name:	PF-05089771
Formula:	C18 H12 Cl2 F N5 O3 S2
SMILES:	Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4
InChi:	InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
Synonyms:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Definition date:	2023-04-20
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide

L1N

L1N
Name:	4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide
Formula:	C21 H15 N5 O3 S2
SMILES:	Oc1[nH]c2ccc3ncsc3c2c1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5
InChi:	InChI=1S/C21H15N5O3S2/c27-21-15(19-16(25-21)8-9-17-20(19)30-12-24-17)11-23-13-4-6-14(7-5-13)31(28,29)26-18-3-1-2-10-22-18/h1-12,25,27H,(H,22,26)/b23-11+
Definition date:	2022-11-06
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide

XRB

XRB
Name:	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile
Formula:	C27 H27 N7 O3 S
SMILES:	O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N
InChi:	InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+
Definition date:	2022-12-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile

ZVJ

ZVJ
Name:	Fenoterol
Formula:	C17 H21 N O4
SMILES:	Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1
InChi:	InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1
Definition date:	2023-04-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol

WNK

WNK
Name:	N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide
Formula:	C27 H31 N5 O4 S
SMILES:	CC(C)(C)n1cc(c(n1)c1cc(O)ccc1)c1ccnc(NCCCNS(=O)(=O)c2ccc(O)cc2)c1
InChi:	InChI=1S/C27H31N5O4S/c1-27(2,3)32-18-24(26(31-32)20-6-4-7-22(34)16-20)19-12-15-29-25(17-19)28-13-5-14-30-37(35,36)23-10-8-21(33)9-11-23/h4,6-12,15-18,30,33-34H,5,13-14H2,1-3H3,(H,28,29)
Definition date:	2022-10-03
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide

WQK

WQK
Name:	N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide
Formula:	C22 H25 N5 O3 S
SMILES:	CC1CCCN1C(=O)c1cc2nc(Nc3ccc(cc3C)S(=O)(=O)NC)ncc2cc1
InChi:	InChI=1S/C22H25N5O3S/c1-14-11-18(31(29,30)23-3)8-9-19(14)25-22-24-13-17-7-6-16(12-20(17)26-22)21(28)27-10-4-5-15(27)2/h6-9,11-13,15,23H,4-5,10H2,1-3H3,(H,24,25,26)/t15-/m0/s1
Definition date:	2022-10-13
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide

X1D

X1D
Name:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
Formula:	C28 H21 F6 N O4 S
SMILES:	O=S(=O)(N(Cc1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
InChi:	InChI=1S/C28H21F6NO4S/c29-27(30,31)26(36,28(32,33)34)21-13-15-22(16-14-21)35(40(37,38)25-9-5-2-6-10-25)19-20-11-17-24(18-12-20)39-23-7-3-1-4-8-23/h1-18,36H,19H2
Definition date:	2023-05-31
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide

XX2

XX2
Name:	1-KETO,2-HYDROXY,4-NITROBENZENE, 1 ELECTRON OXIDIZED
Formula:	C6 H4 N O4
SMILES:	O=[N+]([O-])C1=CC(O)C(=O)C=C1
InChi:	InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,6,9H/t6-/m1/s1
Definition date:	2006-10-05
Last modified:	2023-09-23
Identifier:	(6R)-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one

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