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V41

V41
Name:	(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide
Formula:	C9 H11 N5 O
SMILES:	N(=N/C(C(N)=O)/C(N)=N)c1ccccc1
InChi:	InChI=1S/C9H11N5O/c10-8(11)7(9(12)15)14-13-6-4-2-1-3-5-6/h1-5,7H,(H3,10,11)(H2,12,15)/b14-13+/t7-/m1/s1
Definition date:	2020-06-22
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide

FWC

FWC
Name:	N-Methylanthraniloyl-CoA
Formula:	C29 H43 N8 O17 P3 S
SMILES:	CNc1ccccc1C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31-3)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(30)34-14-35-25(20)37/h4-7,14-15,18,21-23,27,31,39-40H,8-13H2,1-3H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,30,34,35)(H2,43,44,45)/t18-,21-,22-,23+,27-/m1/s1
Definition date:	2020-06-25
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},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-(methylamino)benzenecarbothioate

YP1

YP1
Name:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
Formula:	C24 H25 Cl N2 O2
SMILES:	N#Cc1c(cccc1Cl)OCC(O)CNC(C)(C)Cc1cc2ccccc2cc1
InChi:	InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
Definition date:	2021-03-18
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile

ZB4

ZB4
Name:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
Formula:	C23 H31 N3 O3 S
SMILES:	O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1
InChi:	InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1
Definition date:	2021-04-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide

YSY

YSY
Name:	4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
Formula:	C13 H10 F N3
SMILES:	N#Cc1ccc(C2CCc3cncn32)c(F)c1
InChi:	InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
Synonyms:	Osilodrostat
Definition date:	2021-03-31
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile

UKJ

UKJ
Name:	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
Formula:	C13 H7 Br F3 N O5 S
SMILES:	[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O
InChi:	InChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H
Definition date:	2020-05-20
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene

ULS

ULS
Name:	3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
Formula:	C16 H10 F4 N2 O2
SMILES:	N#Cc1cc(cc(c1)Oc2cnc(c3c2CCC3O)C(F)(F)F)F
InChi:	InChI=1S/C16H10F4N2O2/c17-9-3-8(6-21)4-10(5-9)24-13-7-22-15(16(18,19)20)14-11(13)1-2-12(14)23/h3-5,7,12,23H,1-2H2/t12-/m1/s1
Definition date:	2020-05-22
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile

YGM

YGM
Name:	(but-3-en-1-yl)benzene
Formula:	C10 H12
SMILES:	C=CCCc1ccccc1
InChi:	InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2
Definition date:	2021-03-03
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(but-3-en-1-yl)benzene

YGV

YGV
Name:	1-chloro-2-(methylsulfanyl)benzene
Formula:	C7 H7 Cl S
SMILES:	CSc1ccccc1Cl
InChi:	InChI=1S/C7H7ClS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
Definition date:	2021-03-03
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-chloro-2-(methylsulfanyl)benzene

ZNV

ZNV
Name:	1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
Formula:	C9 H9 F O
SMILES:	Fc1ccccc1OCC=C
InChi:	InChI=1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2
Definition date:	2021-05-12
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene

Y7V

Y7V
Name:	1-fluoranyl-3-iodanyl-benzene
Formula:	C6 H4 F I
SMILES:	Fc1cccc(I)c1
InChi:	InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-fluoranyl-3-iodanyl-benzene

Y87

Y87
Name:	1-bromanyl-4-fluoranyl-benzene
Formula:	C6 H4 Br F
SMILES:	Fc1ccc(Br)cc1
InChi:	InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-bromanyl-4-fluoranyl-benzene

Y8D

Y8D
Name:	1-fluoranyl-4-iodanyl-benzene
Formula:	C6 H4 F I
SMILES:	Fc1ccc(I)cc1
InChi:	InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-fluoranyl-4-iodanyl-benzene

KK6

KK6
Name:	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4H-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile
Formula:	C31 H29 F N6 O3
SMILES:	COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5N(C4=O)c6ccc(F)c(c6)C#N)c2cc1OC
InChi:	InChI=1S/C31H29FN6O3/c1-40-28-14-24-26(15-29(28)41-2)34-19-35-30(24)36-11-9-20(10-12-36)17-37-18-21-5-3-4-6-27(21)38(31(37)39)23-7-8-25(32)22(13-23)16-33/h3-8,13-15,19-20H,9-12,17-18H2,1-2H3
Definition date:	2020-06-24
Last modified:	2021-05-07
Release date:	2021-05-12
Identifier:	5-[3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-2-oxidanylidene-4~{H}-quinazolin-1-yl]-2-fluoranyl-benzenecarbonitrile

WE4

WE4
Name:	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
Formula:	C8 H2 Br4 O4
SMILES:	C(O)(c1c(c(c(C(O)=O)c(Br)c1Br)Br)Br)=O
InChi:	InChI=1S/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
Definition date:	2020-10-20
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid

P75

P75
Name:	4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide
Formula:	C19 H22 N6 O7 S
SMILES:	CC1=CN([CH]2C[CH]([CH](CO)O2)n3cc(COc4ccc(cc4)[S](N)(=O)=O)nn3)C(=O)NC1=O
InChi:	InChI=1S/C19H22N6O7S/c1-11-7-24(19(28)21-18(11)27)17-6-15(16(9-26)32-17)25-8-12(22-23-25)10-31-13-2-4-14(5-3-13)33(20,29)30/h2-5,7-8,15-17,26H,6,9-10H2,1H3,(H2,20,29,30)(H,21,27,28)/t15-,16+,17+/m0/s1
Definition date:	2020-04-16
Last modified:	2021-04-23
Release date:	2021-04-28
Identifier:	4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide

YO1

YO1
Name:	4-(2-{2,4-diamino-5-[2-(4-{[(2E)-1,3-thiazolidin-2-ylidene]sulfamoyl}phenyl)hydrazinyl]phenyl}hydrazinyl)-N-[(2S)-1,3-thiazolidin-2-yl]benzene-1-sulfonamide
Formula:	C24 H20 N10 O4 S4
SMILES:	O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2cc(/N=N/c3ccc(cc3)S(=O)(=O)Nc3nccs3)c(N)cc2N)cc1
InChi:	InChI=1S/C24H20N10O4S4/c25-19-13-20(26)22(32-30-16-3-7-18(8-4-16)42(37,38)34-24-28-10-12-40-24)14-21(19)31-29-15-1-5-17(6-2-15)41(35,36)33-23-27-9-11-39-23/h1-14H,25-26H2,(H,27,33)(H,28,34)/b31-29+,32-30+
Synonyms:	NSC86314
Definition date:	2021-03-15
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	4,4'-{(4,6-diamino-1,3-phenylene)bis[(E)-diazene-2,1-diyl]}bis[N-(1,3-thiazol-2-yl)benzene-1-sulfonamide]

VLA

VLA
Name:	N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid
Formula:	C20 H23 N7 O5
SMILES:	C(=O)(c3ccc(NCC=2CCc1c(c(nc(N)n1)N)N=2)cc3)NC(CCC(O)=O)C(=O)O
InChi:	InChI=1S/C20H23N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,14,23H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t14-/m0/s1
Definition date:	2020-08-27
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid

VMV

VMV
Name:	N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid
Formula:	C20 H25 N7 O5
SMILES:	c2(N)nc3CCC(CNc1ccc(C(NC(C(O)=O)CCC(O)=O)=O)cc1)Nc3c(n2)N
InChi:	InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12-,14-/m0/s1
Definition date:	2020-08-28
Last modified:	2021-04-16
Release date:	2021-04-21
Identifier:	N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid

QH5

QH5
Name:	~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide
Formula:	C19 H17 N7 O2 S
SMILES:	O=[S](=O)(Nc1cccc(c1)n2ncc(c3n[nH]nn3)c2C4CC4)c5ccccc5
InChi:	InChI=1S/C19H17N7O2S/c27-29(28,16-7-2-1-3-8-16)23-14-5-4-6-15(11-14)26-18(13-9-10-13)17(12-20-26)19-21-24-25-22-19/h1-8,11-13,23H,9-10H2,(H,21,22,24,25)
Definition date:	2020-06-17
Last modified:	2021-04-09
Release date:	2021-04-14
Identifier:	~{N}-[3-[5-cyclopropyl-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-1-yl]phenyl]benzenesulfonamide

U5J

U5J
Name:	[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
Formula:	C13 H17 Hg N O6
SMILES:	c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O
InChi:	InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16
Definition date:	2020-04-23
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury

UK7

UK7
Name:	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
Formula:	C18 H19 N3 O S
SMILES:	C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3
InChi:	InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23)
Definition date:	2020-05-19
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide

OQT

OQT
Name:	2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
Formula:	C16 H13 F3 N2 O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23
InChi:	InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1
Synonyms:	2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
Definition date:	2020-03-30
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide

OQW

OQW
Name:	2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
Formula:	C14 H19 F3 N2 O2 S
SMILES:	N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
InChi:	InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21)
Synonyms:	2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
Definition date:	2020-03-30
Last modified:	2021-04-02
Release date:	2021-04-07
Identifier:	2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide

TG7

TG7
Name:	4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
Formula:	C21 H15 N3 O4
SMILES:	c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=O)cc2)c4ccccc4
InChi:	InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)
Definition date:	2020-03-20
Last modified:	2021-03-19
Release date:	2021-03-24
Identifier:	4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid

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