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FXS

FXS
Name:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate
Formula:	C21 H13 Br2 N3 O7
SMILES:	c1ccc(c(c1)[N+](=O)[O-])C(Oc2c(cc(cc2Br)Br)CNC(c3c(cccc3)[N+]([O-])=O)=O)=O
InChi:	InChI=1S/C21H13Br2N3O7/c22-13-9-12(11-24-20(27)14-5-1-3-7-17(14)25(29)30)19(16(23)10-13)33-21(28)15-6-2-4-8-18(15)26(31)32/h1-10H,11H2,(H,24,27)
Definition date:	2018-04-23
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate

FY4

FY4
Name:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate
Formula:	C21 H13 Br2 Cl N2 O5
SMILES:	c1(c(Br)cc(cc1CNC(c2ccccc2[N+](=O)[O-])=O)Br)OC(c3ccc(Cl)cc3)=O
InChi:	InChI=1S/C21H13Br2ClN2O5/c22-14-9-13(11-25-20(27)16-3-1-2-4-18(16)26(29)30)19(17(23)10-14)31-21(28)12-5-7-15(24)8-6-12/h1-10H,11H2,(H,25,27)
Definition date:	2018-04-23
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate

FY7

FY7
Name:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate
Formula:	C22 H13 Br2 N3 O5
SMILES:	c1cc(c(cc1)C#N)C(=O)Oc2c(cc(cc2CNC(c3c(cccc3)[N+](=O)[O-])=O)Br)Br
InChi:	InChI=1S/C22H13Br2N3O5/c23-15-9-14(12-26-21(28)17-7-3-4-8-19(17)27(30)31)20(18(24)10-15)32-22(29)16-6-2-1-5-13(16)11-25/h1-10H,12H2,(H,26,28)
Definition date:	2018-04-23
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate

FYD

FYD
Name:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate
Formula:	C22 H16 Br2 N2 O6
SMILES:	C(c1ccccc1OC)(Oc3c(CNC(=O)c2ccccc2[N+]([O-])=O)cc(cc3Br)Br)=O
InChi:	InChI=1S/C22H16Br2N2O6/c1-31-19-9-5-3-7-16(19)22(28)32-20-13(10-14(23)11-17(20)24)12-25-21(27)15-6-2-4-8-18(15)26(29)30/h2-11H,12H2,1H3,(H,25,27)
Definition date:	2018-04-23
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate

AWG

AWG
Name:	~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine
Formula:	C13 H12 N4
SMILES:	Nc1ccccc1Nc2[nH]c3ccccc3n2
InChi:	InChI=1S/C13H12N4/c14-9-5-1-2-6-10(9)15-13-16-11-7-3-4-8-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}2-(1~{H}-benzimidazol-2-yl)benzene-1,2-diamine

EVV

EVV
Name:	N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid
Formula:	C30 H40 N4 O11
SMILES:	C(C(CC)N(O)C=O)(CCCCC)C(NCNC(=O)c1ccc(o1)c2ccc(C(=O)NC(C(O)=O)CC(=O)O)c(c2)OCC)=O
InChi:	InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1
Definition date:	2018-02-05
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid

HVM

HVM
Name:	(2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
Formula:	C24 H30 N4 O2
SMILES:	C(CNC([C@H]=[C@H]c1cnccc1)=O)CCC2CCN(CC2)C(c3cccc(c3)N)=O
InChi:	InChI=1S/C24H30N4O2/c25-22-8-3-7-21(17-22)24(30)28-15-11-19(12-16-28)5-1-2-14-27-23(29)10-9-20-6-4-13-26-18-20/h3-4,6-10,13,17-19H,1-2,5,11-12,14-16,25H2,(H,27,29)/b10-9+
Definition date:	2018-07-25
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(2E)-N-{4-[1-(3-aminobenzene-1-carbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide

8LF

8LF
Name:	~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide
Formula:	C21 H15 N O6 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)Nc2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O
InChi:	InChI=1S/C21H15NO6S/c1-11-6-8-12(9-7-11)29(27,28)22-16-10-15-17(21(26)20(16)25)19(24)14-5-3-2-4-13(14)18(15)23/h2-10,22,25-26H,1H3
Definition date:	2017-07-31
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-4-methyl-benzenesulfonamide

9RT

9RT
Name:	4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide
Formula:	C13 H15 N3 O2 S
SMILES:	NCc1ccc(cc1)[S](=O)(=O)NCc2ccccn2
InChi:	InChI=1S/C13H15N3O2S/c14-9-11-4-6-13(7-5-11)19(17,18)16-10-12-3-1-2-8-15-12/h1-8,16H,9-10,14H2
Definition date:	2017-07-05
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	4-(aminomethyl)-~{N}-(pyridin-2-ylmethyl)benzenesulfonamide

K5A

K5A
Name:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide
Formula:	C27 H28 N6 O3 S2
SMILES:	Cc1c(c(cc(c1)C#N)C)Oc3c2c(ccs2)nc(n3)NC4CCN(CC4)Cc5ccc(cc5)S(N)(=O)=O
InChi:	InChI=1S/C27H28N6O3S2/c1-17-13-20(15-28)14-18(2)24(17)36-26-25-23(9-12-37-25)31-27(32-26)30-21-7-10-33(11-8-21)16-19-3-5-22(6-4-19)38(29,34)35/h3-6,9,12-14,21H,7-8,10-11,16H2,1-2H3,(H2,29,34,35)(H,30,31,32)
Definition date:	2018-01-03
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide

K5C

K5C
Name:	4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide
Formula:	C29 H30 N6 O3 S2
SMILES:	Cc1cc(C=CC#N)cc(C)c1Oc3c2c(ccs2)nc(n3)NC5CCN(Cc4ccc(cc4)S(N)(=O)=O)CC5
InChi:	InChI=1S/C29H30N6O3S2/c1-19-16-22(4-3-12-30)17-20(2)26(19)38-28-27-25(11-15-39-27)33-29(34-28)32-23-9-13-35(14-10-23)18-21-5-7-24(8-6-21)40(31,36)37/h3-8,11,15-17,23H,9-10,13-14,18H2,1-2H3,(H2,31,36,37)(H,32,33,34)/b4-3+
Definition date:	2018-01-03
Last modified:	2018-07-27
Release date:	2018-08-01
Identifier:	4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide

DWJ

DWJ
Name:	(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile
Formula:	C26 H23 N3 O2
SMILES:	C1(C(=O)C(C3C(C1)(c2ccccc2)c5c(CC3)cn(C(c4ccccc4)=O)n5)C)C#N
InChi:	InChI=1S/C26H23N3O2/c1-17-22-13-12-19-16-29(25(31)18-8-4-2-5-9-18)28-24(19)26(22,14-20(15-27)23(17)30)21-10-6-3-7-11-21/h2-11,16-17,20,22H,12-14H2,1H3/t17-,20-,22-,26+/m0/s1
Definition date:	2017-11-10
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile

F9N

F9N
Name:	3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide
Formula:	C23 H33 N7 O3 S
SMILES:	CN(C)CCCN[S](=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1
InChi:	InChI=1S/C23H33N7O3S/c1-30(2)13-7-12-26-34(31,32)19-11-6-10-18(14-19)27-23-28-21-20(24-16-25-21)22(29-23)33-15-17-8-4-3-5-9-17/h6,10-11,14,16-17,26H,3-5,7-9,12-13,15H2,1-2H3,(H2,24,25,27,28,29)
Definition date:	2018-06-15
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide

BYV

BYV
Name:	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
Formula:	C19 H24 N4
SMILES:	N#Cc1cc(CCCNC)cc(c1)CCc2nc(N)cc(c2)C
InChi:	InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile

8WC

8WC
Name:	4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile
Formula:	C25 H25 N3 O
SMILES:	Cc1ccc(cc1)c2ncc(OCC3CCNCC3)cc2c4ccc(cc4)C#N
InChi:	InChI=1S/C25H25N3O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(15-26)5-9-21)14-23(16-28-25)29-17-20-10-12-27-13-11-20/h2-9,14,16,20,27H,10-13,17H2,1H3
Definition date:	2017-10-13
Last modified:	2018-06-29
Release date:	2018-07-04
Identifier:	4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile

H7M

H7M
Name:	3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide
Formula:	C15 H13 Cl N4 O3 S2
SMILES:	c2cc(c(NS(c1c(c(ccc1)Cl)O)(=O)=O)cc2)Sc3n(C)cnn3
InChi:	InChI=1S/C15H13ClN4O3S2/c1-20-9-17-18-15(20)24-12-7-3-2-6-11(12)19-25(22,23)13-8-4-5-10(16)14(13)21/h2-9,19,21H,1H3
Definition date:	2018-06-11
Last modified:	2018-06-29
Release date:	2018-07-04
Identifier:	3-chloro-2-hydroxy-N-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]phenyl}benzene-1-sulfonamide

AXN

AXN
Name:	~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
Formula:	C24 H30 N4 O4 S
SMILES:	CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCCC4
InChi:	InChI=1S/C24H30N4O4S/c1-16(2)13-17-7-9-18(10-8-17)33(31,32)25-19-14-21-22(15-20(19)28-11-5-6-12-28)27(4)24(30)23(29)26(21)3/h7-10,14-16,25H,5-6,11-13H2,1-4H3
Definition date:	2017-08-30
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide

9EU

9EU
Name:	4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide
Formula:	C28 H22 F N5 O2
SMILES:	Cc2nc1cnccc1n2Cc3ccc(cc3F)C(=O)c4cn(c5c4c(C#C)ccc5)C(N(C)C)=O
InChi:	InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3
Definition date:	2018-03-29
Last modified:	2018-06-15
Release date:	2018-06-20
Identifier:	4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide

F4N

F4N
Name:	~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide
Formula:	C16 H14 Br N5 O4 S
SMILES:	CN(N=Cc1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O
InChi:	InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+
Definition date:	2018-05-29
Last modified:	2018-06-15
Release date:	2018-06-20
Identifier:	~{N}-[(~{E})-(6-bromanylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-~{N},2-dimethyl-5-nitro-benzenesulfonamide

FQV

FQV
Name:	4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
Formula:	C10 H11 N O2 S Se
SMILES:	C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O
InChi:	InChI=1S/C10H11NO2SSe/c1-2-3-8-15-10-6-4-9(5-7-10)14(11,12)13/h4-7H,8H2,1H3,(H2,11,12,13)
Definition date:	2018-04-16
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide

FQY

FQY
Name:	4-(cyclohexylselanyl)benzene-1-sulfonamide
Formula:	C12 H17 N O2 S Se
SMILES:	c1c(ccc(c1)[Se]C2CCCCC2)S(N)(=O)=O
InChi:	InChI=1S/C12H17NO2SSe/c13-16(14,15)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,13,14,15)
Definition date:	2018-04-16
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	4-(cyclohexylselanyl)benzene-1-sulfonamide

8P9

8P9
Name:	5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
Formula:	C16 H15 Cl N2 O5 S
SMILES:	COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Cl)ccc3OC
InChi:	InChI=1S/C16H15ClN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3
Definition date:	2017-08-24
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	5-chloranyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide

8PU

8PU
Name:	5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide
Formula:	C15 H13 Br N2 O5 S
SMILES:	COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2O
InChi:	InChI=1S/C15H13BrN2O5S/c1-8-10-6-11(12(19)7-14(10)23-17-8)18-24(20,21)15-5-9(16)3-4-13(15)22-2/h3-7,18-19H,1-2H3
Definition date:	2017-08-24
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	5-bromanyl-2-methoxy-~{N}-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide

8PX

8PX
Name:	5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide
Formula:	C16 H15 Br N2 O5 S
SMILES:	COc1cc2onc(C)c2cc1N[S](=O)(=O)c3cc(Br)ccc3OC
InChi:	InChI=1S/C16H15BrN2O5S/c1-9-11-7-12(15(23-3)8-14(11)24-18-9)19-25(20,21)16-6-10(17)4-5-13(16)22-2/h4-8,19H,1-3H3
Definition date:	2017-08-24
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	5-bromanyl-2-methoxy-~{N}-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide

8Q3

8Q3
Name:	5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide
Formula:	C16 H15 Br N2 O4 S
SMILES:	COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2C
InChi:	InChI=1S/C16H15BrN2O4S/c1-9-6-15-12(10(2)18-23-15)8-13(9)19-24(20,21)16-7-11(17)4-5-14(16)22-3/h4-8,19H,1-3H3
Definition date:	2017-08-24
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	5-bromanyl-~{N}-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide

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