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A1AS6

A1AS6
Name:	N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide
Formula:	C24 H19 Cl N4 O5 S3
SMILES:	O=S(=O)(Nc1ccc2oc(nc2c1)c1ccc(NS(=O)(=O)c2ccc(CN)cc2)cc1)c1ccc(Cl)s1
InChi:	InChI=1S/C24H19ClN4O5S3/c25-22-11-12-23(35-22)37(32,33)29-18-7-10-21-20(13-18)27-24(34-21)16-3-5-17(6-4-16)28-36(30,31)19-8-1-15(14-26)2-9-19/h1-13,28-29H,14,26H2
Definition date:	2024-05-28
Last modified:	2024-08-02
Release date:	2024-08-07
Identifier:	N-(2-{4-[4-(aminomethyl)benzene-1-sulfonamido]phenyl}-1,3-benzoxazol-5-yl)-5-chlorothiophene-2-sulfonamide

A1ADF

A1ADF
Name:	4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid
Formula:	C15 H15 N3 O2
SMILES:	CN(C)c1ccc(/N=N/c2ccc(cc2)C(=O)O)cc1
InChi:	InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
Definition date:	2024-01-21
Last modified:	2024-08-02
Release date:	2024-08-07
Identifier:	4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzoic acid

OJK

OJK
Name:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol
Formula:	C7 H8 Cl N O2
SMILES:	NCc1cc(O)c(Cl)cc1O
InChi:	InChI=1S/C7H8ClNO2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2,10-11H,3,9H2
Definition date:	2021-03-22
Last modified:	2024-07-17
Release date:	2021-03-31
Identifier:	2-(aminomethyl)-5-chloranyl-benzene-1,4-diol

S7Z

S7Z
Name:	(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
Formula:	C14 H6 F4 N2 O4
SMILES:	OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1
InChi:	InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-
Synonyms:	[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol
Definition date:	2020-11-11
Last modified:	2024-06-28
Release date:	2021-12-15
Identifier:	4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid

A1IBD

A1IBD
Name:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide
Formula:	C10 H16 N2 O2 S
SMILES:	C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1
InChi:	InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide

A1IBE

A1IBE
Name:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide
Formula:	C9 H13 F N2 O3 S
SMILES:	NC[CH](O)CN[S](=O)(=O)c1ccccc1F
InChi:	InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1
Definition date:	2024-05-10
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide

A1IBQ

A1IBQ
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide
Formula:	C14 H14 F2 N2 O2 S
SMILES:	N[CH](CN[S](=O)(=O)c1cc(F)cc(F)c1)c2ccccc2
InChi:	InChI=1S/C14H14F2N2O2S/c15-11-6-12(16)8-13(7-11)21(19,20)18-9-14(17)10-4-2-1-3-5-10/h1-8,14,18H,9,17H2/t14-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)benzenesulfonamide

A1IBR

A1IBR
Name:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide
Formula:	C15 H16 F2 N2 O2 S
SMILES:	CN(C[CH](N)c1ccccc1)[S](=O)(=O)c2cc(F)cc(F)c2
InChi:	InChI=1S/C15H16F2N2O2S/c1-19(10-15(18)11-5-3-2-4-6-11)22(20,21)14-8-12(16)7-13(17)9-14/h2-9,15H,10,18H2,1H3/t15-/m1/s1
Definition date:	2024-05-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(2~{S})-2-azanyl-2-phenyl-ethyl]-3,5-bis(fluoranyl)-~{N}-methyl-benzenesulfonamide

CRK

CRK
Name:	4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE
Formula:	C16 H15 N2 O5 S
SMILES:	O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC
InChi:	InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+
Definition date:	2004-10-11
Last modified:	2024-06-28
Identifier:	4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate

WP9

WP9
Name:	~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate
Formula:	C21 H33 N4 O9 P S
SMILES:	CC(C)(CO[P](O)(=O)OC[CH](N)C=O)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1N
InChi:	InChI=1S/C21H33N4O9PS/c1-21(2,13-34-35(31,32)33-12-14(22)11-26)18(28)19(29)25-8-7-17(27)24-9-10-36-20(30)15-5-3-4-6-16(15)23/h3-6,11,14,18,28H,7-10,12-13,22-23H2,1-2H3,(H,24,27)(H,25,29)(H,31,32)/t14-,18+/m1/s1
Definition date:	2023-10-10
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[(2~{S})-2-azanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-azanylbenzenecarbothioate

A1LW9

A1LW9
Name:	~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide
Formula:	C25 H24 N6 O2 S
SMILES:	CCC(=O)Nc1ccc(Cn2nc(c3sc4c(OC)cc(C)cc4c3)c5c(N)ncnc25)cc1
InChi:	InChI=1S/C25H24N6O2S/c1-4-20(32)29-17-7-5-15(6-8-17)12-31-25-21(24(26)27-13-28-25)22(30-31)19-11-16-9-14(2)10-18(33-3)23(16)34-19/h5-11,13H,4,12H2,1-3H3,(H,29,32)(H2,26,27,28)
Definition date:	2024-01-26
Last modified:	2024-06-21
Release date:	2024-06-26
Identifier:	~{N}-[4-[[4-azanyl-3-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]phenyl]propanamide

O2I

O2I
Name:	4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile
Formula:	C20 H13 F2 N3 O2
SMILES:	CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(cc3)C#N
InChi:	InChI=1S/C20H13F2N3O2/c1-25-18(7-6-12-2-4-13(11-23)5-3-12)24-17(20(25)27)10-14-8-15(21)19(26)16(22)9-14/h2-10,26H,1H3/b7-6+,17-10-
Definition date:	2023-01-20
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	4-[(~{E})-2-[(4~{Z})-4-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-1-methyl-5-oxidanylidene-imidazol-2-yl]ethenyl]benzenecarbonitrile

A1AU1

A1AU1
Name:	3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C15 H9 Cl2 F N2 O3 S
SMILES:	Clc1cc(c(O)c(Cl)c1)S(=O)(=O)Nc1ccc(F)c2cnccc21
InChi:	InChI=1S/C15H9Cl2FN2O3S/c16-8-5-11(17)15(21)14(6-8)24(22,23)20-13-2-1-12(18)10-7-19-4-3-9(10)13/h1-7,20-21H
Definition date:	2024-06-12
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide

A1AU5

A1AU5
Name:	N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
Formula:	C16 H15 Cl N2 O4 S
SMILES:	Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O
InChi:	InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3
Definition date:	2024-06-13
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide

A1AUT

A1AUT
Name:	3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide
Formula:	C14 H10 Cl2 N2 O3 S2
SMILES:	Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl
InChi:	InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3
Definition date:	2024-06-10
Last modified:	2024-06-14
Release date:	2024-06-19
Identifier:	3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide

X8K

X8K
Name:	4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile
Formula:	C25 H20 N4 O2
SMILES:	O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N
InChi:	InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
Definition date:	2023-06-06
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile

A1D49

A1D49
Name:	(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one
Formula:	C19 H20 N4 O2
SMILES:	CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3
InChi:	InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
Synonyms:	PQ912
Definition date:	2023-12-22
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one

WC8

WC8
Name:	2-CN-benzoyl coenzyme A
Formula:	C29 H39 N8 O17 P3 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccccc4C#N
InChi:	InChI=1S/C29H39N8O17P3S/c1-29(2,23(40)26(41)33-8-7-19(38)32-9-10-58-28(42)17-6-4-3-5-16(17)11-30)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(31)34-14-35-25(20)37/h3-6,14-15,18,21-23,27,39-40H,7-10,12-13H2,1-2H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t18-,21-,22+,23+,27-/m1/s1
Synonyms:	S-[2-[3-[[(2R)-4-[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate
Definition date:	2023-05-10
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-cyanobenzenecarbothioate

UEU

UEU
Name:	4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile
Formula:	C28 H27 F2 N3 O2
SMILES:	CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O)N4CC[CH](N)C4
InChi:	InChI=1S/C28H27F2N3O2/c1-28(2,35)14-17-3-7-23(26(30)11-17)22-8-6-19(27(34)33-10-9-21(32)16-33)12-24(22)18-4-5-20(15-31)25(29)13-18/h3-8,11-13,21,35H,9-10,14,16,32H2,1-2H3/t21-/m1/s1
Definition date:	2023-05-29
Last modified:	2024-05-17
Release date:	2024-05-22
Identifier:	4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile

A1AJE

A1AJE
Name:	(S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid
Formula:	C8 H9 N O4 S
SMILES:	OS(=O)c1cc(c(OC)cc1)C(N)=O
InChi:	InChI=1S/C8H9NO4S/c1-13-7-3-2-5(14(11)12)4-6(7)8(9)10/h2-4H,1H3,(H2,9,10)(H,11,12)
Definition date:	2024-04-03
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(S~1~R)-3-carbamoyl-4-methoxybenzene-1-sulfinic acid

F3L

F3L
Name:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile
Formula:	C17 H16 Cl F N4 O4 S
SMILES:	NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3
InChi:	InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1
Synonyms:	4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile
Definition date:	2023-06-27
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile

ZLF

ZLF
Name:	S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE
Formula:	C11 H14 F N O2 S
SMILES:	Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1
InChi:	InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
Synonyms:	2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid

ZQF

ZQF
Name:	2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid
Formula:	C38 H42 N4 O10 S2
SMILES:	O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1
InChi:	InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48)
Definition date:	2023-03-20
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid

QU0

QU0
Name:	N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide
Formula:	C25 H34 N4 O4 S
SMILES:	CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1
InChi:	InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1
Definition date:	2023-08-21
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide

I4Y

I4Y
Name:	2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid
Formula:	C14 H12 O6 S
SMILES:	COc1cc(O)c(cc1[S](O)(=O)=O)C(=O)c2ccccc2
InChi:	InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)
Definition date:	2022-06-07
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-methoxy-4-oxidanyl-5-(phenylcarbonyl)benzenesulfonic acid

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