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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

8KX

8KX
Name:	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide
Formula:	C21 H12 F3 N O6 S
SMILES:	Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](=O)(=O)Nc4ccc(cc4)C(F)(F)F
InChi:	InChI=1S/C21H12F3NO6S/c22-21(23,24)10-5-7-11(8-6-10)25-32(30,31)15-9-14-16(20(29)19(15)28)18(27)13-4-2-1-3-12(13)17(14)26/h1-9,25,28-29H
Definition date:	2017-07-27
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-~{N}-[4-(trifluoromethyl)phenyl]anthracene-2-sulfonamide

8L3

8L3
Name:	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine
Formula:	C18 H20 Cl2 N2 O
SMILES:	Clc1ccc(CC2(CCNCC2)COc3cccnc3)cc1Cl
InChi:	InChI=1S/C18H20Cl2N2O/c19-16-4-3-14(10-17(16)20)11-18(5-8-21-9-6-18)13-23-15-2-1-7-22-12-15/h1-4,7,10,12,21H,5-6,8-9,11,13H2
Definition date:	2017-07-27
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3-[[4-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methoxy]pyridine

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

8N3

8N3
Name:	(2R)-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-N-oxidanyl-pentanamide
Formula:	C15 H23 N3 O3
SMILES:	CC(C)C[CH](NC(=O)NCc1cccc(C)c1)C(=O)NO
InChi:	InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
Definition date:	2017-08-07
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(2~{R})-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]-~{N}-oxidanyl-pentanamide

8OF

8OF
Name:	N-(4-methoxyphenyl)quinolin-4-amine
Formula:	C16 H14 N2 O
SMILES:	COc1ccc(Nc2ccnc3ccccc23)cc1
InChi:	InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
Definition date:	2017-08-22
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-(4-methoxyphenyl)quinolin-4-amine

8QO

8QO
Name:	5-methoxy-2-[(5R)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]phenol
Formula:	C11 H14 N2 O2
SMILES:	COc1ccc(c(O)c1)C2=NC[CH](C)N2
InChi:	InChI=1S/C11H14N2O2/c1-7-6-12-11(13-7)9-4-3-8(15-2)5-10(9)14/h3-5,7,14H,6H2,1-2H3,(H,12,13)/t7-/m1/s1
Definition date:	2017-08-25
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	5-methoxy-2-[(5~{R})-5-methyl-4,5-dihydro-1~{H}-imidazol-2-yl]phenol

EZK

EZK
Name:	[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
Formula:	C19 H22 Cl N7 O
SMILES:	Clc1cc(NC(=O)c2ccc(cc2)[NH+]=C3NCCN3)ccc1[NH+]=C4NCCN4
InChi:	InChI=1S/C19H20ClN7O/c20-15-11-14(5-6-16(15)27-19-23-9-10-24-19)25-17(28)12-1-3-13(4-2-12)26-18-21-7-8-22-18/h1-6,11H,7-10H2,(H,25,28)(H2,21,22,26)(H2,23,24,27)/p+2
Definition date:	2018-05-10
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	[4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium

F4E

F4E
Name:	methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate
Formula:	C8 H7 N O3
SMILES:	COC(=O)c1[nH]c2ccoc2c1
InChi:	InChI=1S/C8H7NO3/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3
Definition date:	2018-05-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	methyl 4~{H}-furo[3,2-b]pyrrole-5-carboxylate

F4K

F4K
Name:	(4-pyrrol-1-ylphenyl)methanol
Formula:	C11 H11 N O
SMILES:	OCc1ccc(cc1)n2cccc2
InChi:	InChI=1S/C11H11NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-8,13H,9H2
Definition date:	2018-05-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(4-pyrrol-1-ylphenyl)methanol

F7B

F7B
Name:	6-chloranyl-2,3-dihydrothiochromen-4-one
Formula:	C9 H7 Cl O S
SMILES:	Clc1ccc2SCCC(=O)c2c1
InChi:	InChI=1S/C9H7ClOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2
Definition date:	2018-06-06
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	6-chloranyl-2,3-dihydrothiochromen-4-one

AW7

AW7
Name:	2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine
Formula:	C13 H10 N4 O
SMILES:	[nH]1ccc(n1)c2ccc(Oc3ncccn3)cc2
InChi:	InChI=1S/C13H10N4O/c1-7-14-13(15-8-1)18-11-4-2-10(3-5-11)12-6-9-16-17-12/h1-9H,(H,16,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine

AWA

AWA
Name:	(6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid
Formula:	C12 H12 N2 O4
SMILES:	COc1ccc(cc1)[CH]2CC(=NC(=O)N2)C(O)=O
InChi:	InChI=1S/C12H12N2O4/c1-18-8-4-2-7(3-5-8)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)/t9-/m1/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	(6~{R})-6-(4-methoxyphenyl)-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-4-carboxylic acid

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

AWP

AWP
Name:	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea
Formula:	C14 H21 N3 O
SMILES:	O=C(NCCc1ccncc1)NC2CCCCC2
InChi:	InChI=1S/C14H21N3O/c18-14(17-13-4-2-1-3-5-13)16-11-8-12-6-9-15-10-7-12/h6-7,9-10,13H,1-5,8,11H2,(H2,16,17,18)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea

AWV

AWV
Name:	3-(azepan-1-ylmethyl)-1~{H}-indole
Formula:	C15 H20 N2
SMILES:	C1CCCN(CC1)Cc2c[nH]c3ccccc23
InChi:	InChI=1S/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3-(azepan-1-ylmethyl)-1~{H}-indole

AWY

AWY
Name:	~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide
Formula:	C15 H17 N O2
SMILES:	COc1ccc2cccc(CCNC(C)=O)c2c1
InChi:	InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide

AXG

AXG
Name:	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine
Formula:	C16 H20 N2
SMILES:	C1CN(CCC1n2cccc2)Cc3ccccc3
InChi:	InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-(phenylmethyl)-4-pyrrol-1-yl-piperidine

AXS

AXS
Name:	1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
Formula:	C12 H16 F N O
SMILES:	Fc1ccc(CNC[CH]2CCCO2)cc1
InChi:	InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h3-6,12,14H,1-2,7-9H2/t12-/m1/s1
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine

AXV

AXV
Name:	1~{H}-benzimidazol-2-ylcyanamide
Formula:	C8 H6 N4
SMILES:	N#CNc1[nH]c2ccccc2n1
InChi:	InChI=1S/C8H6N4/c9-5-10-8-11-6-3-1-2-4-7(6)12-8/h1-4H,(H2,10,11,12)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1~{H}-benzimidazol-2-ylcyanamide

AYJ

AYJ
Name:	2-[cyclohexyl(methylsulfonyl)amino]ethanamide
Formula:	C9 H18 N2 O3 S
SMILES:	C[S](=O)(=O)N(CC(N)=O)C1CCCCC1
InChi:	InChI=1S/C9H18N2O3S/c1-15(13,14)11(7-9(10)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H2,10,12)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[cyclohexyl(methylsulfonyl)amino]ethanamide

AYS

AYS
Name:	2-[(4-chlorophenyl)amino]benzamide
Formula:	C13 H11 Cl N2 O
SMILES:	NC(=O)c1ccccc1Nc2ccc(Cl)cc2
InChi:	InChI=1S/C13H11ClN2O/c14-9-5-7-10(8-6-9)16-12-4-2-1-3-11(12)13(15)17/h1-8,16H,(H2,15,17)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	2-[(4-chlorophenyl)amino]benzamide

AYV

AYV
Name:	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea
Formula:	C11 H16 N2 O3
SMILES:	CC(CO)(CO)NC(=O)Nc1ccccc1
InChi:	InChI=1S/C11H16N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h2-6,14-15H,7-8H2,1H3,(H2,12,13,16)
Definition date:	2017-07-28
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea

FEW

FEW
Name:	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide
Formula:	C31 H31 F3 N6 O
SMILES:	CC(C)c1ccc(cc1C#Cc2cnc3cnccn23)C(=O)Nc4cc(CN5CCN(C)CC5)cc(c4)C(F)(F)F
InChi:	InChI=1S/C31H31F3N6O/c1-21(2)28-7-5-24(16-23(28)4-6-27-18-36-29-19-35-8-9-40(27)29)30(41)37-26-15-22(14-25(17-26)31(32,33)34)20-39-12-10-38(3)11-13-39/h5,7-9,14-19,21H,10-13,20H2,1-3H3,(H,37,41)
Definition date:	2018-06-25
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide

FH1

FH1
Name:	N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide
Formula:	C37 H50 N6 O9 S
SMILES:	C3(CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C)(C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O)NS(C6(CC6)C)(=O)=O)=O
InChi:	InChI=1S/C37H50N6O9S/c1-8-22-19-37(22,33(46)42-53(48,49)36(6)15-16-36)41-30(44)28-18-25(51-31-21(2)38-26-14-13-24(50-7)17-27(26)39-31)20-43(28)32(45)29(35(3,4)5)40-34(47)52-23-11-9-10-12-23/h8,13-14,17,22-23,25,28-29H,1,9-12,15-16,18-20H2,2-7H3,(H,40,47)(H,41,44)(H,42,46)/t22-,25-,28+,29-,37-/m1/s1
Definition date:	2018-03-30
Last modified:	2018-08-03
Release date:	2018-08-08
Identifier:	N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide

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