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975

975
Name:	4-(2-hydroxyethyl)benzene-1,2-diol
Formula:	C8 H10 O3
SMILES:	OCCc1ccc(O)c(O)c1
InChi:	InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
Definition date:	2017-04-26
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	4-(2-hydroxyethyl)benzene-1,2-diol

FGY

FGY
Name:	N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide
Formula:	C27 H35 N5 O6
SMILES:	C(C(NC(C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)=O)=O)C)(NCc2ccccc2)=O
InChi:	InChI=1S/C27H35N5O6/c1-17(23(34)28-15-18-8-6-5-7-9-18)30-26(37)21(14-22(33)29-16-27(2,3)4)31-24(35)19-10-12-20(13-11-19)25(36)32-38/h5-13,17,21,38H,14-16H2,1-4H3,(H,28,34)(H,29,33)(H,30,37)(H,31,35)(H,32,36)/t17-,21-/m0/s1
Definition date:	2018-03-30
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide

DU7

DU7
Name:	4-chloro-6-methylpyrimidin-2-amine
Formula:	C5 H6 Cl N3
SMILES:	c1(N)nc(Cl)cc(n1)C
InChi:	InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
Definition date:	2017-11-06
Last modified:	2018-11-02
Release date:	2018-11-07
Identifier:	4-chloro-6-methylpyrimidin-2-amine

BQB

BQB
Name:	5-(4-nitrophenylazo)-3-iodosalicylic acid
Formula:	C13 H8 I N3 O5
SMILES:	OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O
InChi:	InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+
Definition date:	2017-10-12
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-iodanyl-5-[(~{E})-(4-nitrophenyl)diazenyl]-2-oxidanyl-benzoic acid

GQZ

GQZ
Name:	~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
Formula:	C14 H12 N2 O3
SMILES:	ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2
InChi:	InChI=1S/C14H12N2O3/c17-13(15-12-7-2-1-3-8-12)10-5-4-6-11(9-10)14(18)16-19/h1-9,19H,(H,15,17)(H,16,18)
Definition date:	2018-10-04
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide

FOJ

FOJ
Name:	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile
Formula:	C16 H8 F5 N O4 S
SMILES:	N#Cc1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c3C(F)F)O
InChi:	InChI=1S/C16H8F5NO4S/c17-8-3-7(6-22)4-9(5-8)26-10-1-2-11-13(12(10)15(18)19)14(23)16(20,21)27(11,24)25/h1-5,14-15,23H/t14-/m1/s1
Definition date:	2018-04-11
Last modified:	2018-10-26
Release date:	2018-10-31
Identifier:	3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile

N19

N19
Name:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H21 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN[CH](C2)Cc3ccccc3
InChi:	InChI=1S/C18H21N3O3S/c19-25(23,24)17-8-6-15(7-9-17)18(22)21-11-10-20-16(13-21)12-14-4-2-1-3-5-14/h1-9,16,20H,10-13H2,(H2,19,23,24)/t16-/m1/s1
Definition date:	2017-11-07
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide

GRY

GRY
Name:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
Formula:	C12 H14 N4
SMILES:	Cc1cc(C)nc(Nc2ccc(N)cc2)n1
InChi:	InChI=1S/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

F5E

F5E
Name:	~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide
Formula:	C28 H40 N4 O2 S
SMILES:	CC(C)Cc1ccc2nn(C)cc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3
InChi:	InChI=1S/C28H40N4O2S/c1-21(2)19-24-11-14-27-26(20-32(4)29-27)28(24)30-35(33,34)25-12-9-22(10-13-25)7-5-6-8-23-15-17-31(3)18-16-23/h9-14,20-21,23,30H,5-8,15-19H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	~{N}-[2-methyl-5-(2-methylpropyl)indazol-4-yl]-4-[4-(1-methylpiperidin-4-yl)butyl]benzenesulfonamide

JHV

JHV
Name:	4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
Formula:	C11 H10 Cl N3
SMILES:	c1(ccncc1)Nc2ccc(cc2N)Cl
InChi:	InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
Definition date:	2018-09-10
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine

JMD

JMD
Name:	4-(2-hydroxyethyl)benzonitrile
Formula:	C9 H9 N O
SMILES:	C(c1ccc(CCO)cc1)#N
InChi:	InChI=1S/C9H9NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1-4,11H,5-6H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-(2-hydroxyethyl)benzonitrile

JNA

JNA
Name:	N-[(thiophen-2-yl)methyl]benzenesulfonamide
Formula:	C11 H11 N O2 S2
SMILES:	c2cc(S(=O)(=O)NCc1sccc1)ccc2
InChi:	InChI=1S/C11H11NO2S2/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-8,12H,9H2
Definition date:	2018-09-11
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	N-[(thiophen-2-yl)methyl]benzenesulfonamide

JOY

JOY
Name:	4-[(1H-pyrazol-1-yl)methyl]benzonitrile
Formula:	C11 H9 N3
SMILES:	c1cn(nc1)Cc2ccc(C#N)cc2
InChi:	InChI=1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2
Definition date:	2018-09-12
Last modified:	2018-10-05
Release date:	2018-10-10
Identifier:	4-[(1H-pyrazol-1-yl)methyl]benzonitrile

F6W

F6W
Name:	4-(2-phenylethylsulfanyl)benzenesulfonamide
Formula:	C14 H15 N O2 S2
SMILES:	N[S](=O)(=O)c1ccc(SCCc2ccccc2)cc1
InChi:	InChI=1S/C14H15NO2S2/c15-19(16,17)14-8-6-13(7-9-14)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,15,16,17)
Definition date:	2018-06-05
Last modified:	2018-09-28
Release date:	2018-10-03
Identifier:	4-(2-phenylethylsulfanyl)benzenesulfonamide

F5Q

F5Q
Name:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide
Formula:	C29 H38 N4 O2 S
SMILES:	CN1CCC(CCCCc2ccc(cc2)[S](=O)(=O)Nc3c(ccc4ncccc34)N5CCCC5)CC1
InChi:	InChI=1S/C29H38N4O2S/c1-32-21-16-24(17-22-32)8-3-2-7-23-10-12-25(13-11-23)36(34,35)31-29-26-9-6-18-30-27(26)14-15-28(29)33-19-4-5-20-33/h6,9-15,18,24,31H,2-5,7-8,16-17,19-22H2,1H3
Definition date:	2018-06-01
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide

F5Z

F5Z
Name:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide
Formula:	C29 H39 N3 O2 S
SMILES:	CC(C)Cc1ccc2ncccc2c1N[S](=O)(=O)c3ccc(CCCCC4CCN(C)CC4)cc3
InChi:	InChI=1S/C29H39N3O2S/c1-22(2)21-25-12-15-28-27(9-6-18-30-28)29(25)31-35(33,34)26-13-10-23(11-14-26)7-4-5-8-24-16-19-32(3)20-17-24/h6,9-15,18,22,24,31H,4-5,7-8,16-17,19-21H2,1-3H3
Definition date:	2018-06-01
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide

C0J

C0J
Name:	2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile
Formula:	C14 H12 F N3
SMILES:	c2(C#N)c(NCCc1ccccn1)cccc2F
InChi:	InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2
Definition date:	2017-09-06
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile

EZE

EZE
Name:	trans-oxyresveratrol
Formula:	C14 H12 O4
SMILES:	Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
InChi:	InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
Definition date:	2018-05-10
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	4-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol

EZH

EZH
Name:	cis-oxyresveratrol
Formula:	C14 H12 O4
SMILES:	Oc1ccc(C=Cc2cc(O)cc(O)c2)c(O)c1
InChi:	InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1-
Definition date:	2018-05-10
Last modified:	2018-09-07
Release date:	2018-09-12
Identifier:	4-[(~{Z})-2-[3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,3-diol

HRA

HRA
Name:	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol
Formula:	C25 H23 Cl N4 O4
SMILES:	C1CC(CO)OCC1Nc5c4c(C(c3ccc(Oc2ccccc2)cc3Cl)=O)cnc4ncn5
InChi:	InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1
Definition date:	2018-07-18
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol

FV9

FV9
Name:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
Formula:	C20 H17 F N4 O7 P2 S
SMILES:	OP(O)(=O)C(P(O)(O)=O)Nc2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc4)=O
InChi:	InChI=1S/C20H17FN4O7P2S/c21-13-6-4-11(5-7-13)18(26)22-14-3-1-2-12(10-14)16-23-17(15-8-9-35-19(15)24-16)25-20(33(27,28)29)34(30,31)32/h1-10,20H,(H,22,26)(H,23,24,25)(H2,27,28,29)(H2,30,31,32)
Definition date:	2018-01-16
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	{[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)

J9D

J9D
Name:	4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile
Formula:	C16 H15 N7 O
SMILES:	c3(nc(Nc1ccc(cc1)C#N)nc(n2cnc(CCO)c2)c3)N
InChi:	InChI=1S/C16H15N7O/c17-8-11-1-3-12(4-2-11)20-16-21-14(18)7-15(22-16)23-9-13(5-6-24)19-10-23/h1-4,7,9-10,24H,5-6H2,(H3,18,20,21,22)
Definition date:	2018-08-24
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	4-({4-amino-6-[4-(2-hydroxyethyl)-1H-imidazol-1-yl]pyrimidin-2-yl}amino)benzonitrile

B5T

B5T
Name:	4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
Formula:	C18 H14 N4 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2cnc3[nH]cc(c4cccnc4)c3c2
InChi:	InChI=1S/C18H14N4O2S/c19-25(23,24)15-5-3-12(4-6-15)14-8-16-17(11-22-18(16)21-10-14)13-2-1-7-20-9-13/h1-11H,(H,21,22)(H2,19,23,24)
Definition date:	2017-09-19
Last modified:	2018-08-24
Release date:	2018-08-29
Identifier:	4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide

TX7

TX7
Name:	2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate
Formula:	C21 H13 Br3 N2 O5
SMILES:	O=[N+]([O-])c1c(cccc1)C(NCc2c(c(cc(c2)Br)Br)OC(c3ccc(Br)cc3)=O)=O
InChi:	InChI=1S/C21H13Br3N2O5/c22-14-7-5-12(6-8-14)21(28)31-19-13(9-15(23)10-17(19)24)11-25-20(27)16-3-1-2-4-18(16)26(29)30/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-bromobenzoate

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

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