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6J6

6J6
Name:	(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one
Formula:	C15 H12 O5
SMILES:	Oc1ccc2O[CH](CC(=O)c2c1)c3ccc(O)c(O)c3
InChi:	InChI=1S/C15H12O5/c16-9-2-4-14-10(6-9)12(18)7-15(20-14)8-1-3-11(17)13(19)5-8/h1-6,15-17,19H,7H2/t15-/m1/s1
Definition date:	2016-05-25
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one

6LG

6LG
Name:	(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate
Formula:	C21 H25 N4 O6 P
SMILES:	c3(c([N+]([O-])=O)ccc(C(OP(N1CC1)(N2CC2)=O)C)c3)Oc4cc(C(=O)N(C)C)ccc4
InChi:	InChI=1S/C21H25N4O6P/c1-15(31-32(29,23-9-10-23)24-11-12-24)16-7-8-19(25(27)28)20(14-16)30-18-6-4-5-17(13-18)21(26)22(2)3/h4-8,13-15H,9-12H2,1-3H3/t15-/m1/s1
Definition date:	2016-05-12
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	(1R)-1-{3-[3-(dimethylcarbamoyl)phenoxy]-4-nitrophenyl}ethyl bis[(aziridin-1-yl)]phosphinate

6LH

6LH
Name:	4-(aminomethyl)benzene-1-sulfonamide
Formula:	C7 H10 N2 O2 S
SMILES:	S(c1ccc(CN)cc1)(=O)(N)=O
InChi:	InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
Definition date:	2016-05-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	4-(aminomethyl)benzene-1-sulfonamide

6LK

6LK
Name:	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide
Formula:	C16 H15 Cl N4 O4 S
SMILES:	c1c(cc(Cl)c(OC)n1)n2nc(C)c3cc(ccc23)C(NS(C)(=O)=O)=O
InChi:	InChI=1S/C16H15ClN4O4S/c1-9-12-6-10(15(22)20-26(3,23)24)4-5-14(12)21(19-9)11-7-13(17)16(25-2)18-8-11/h4-8H,1-3H3,(H,20,22)
Definition date:	2016-05-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	1-(5-chloro-6-methoxypyridin-3-yl)-3-methyl-N-(methylsulfonyl)-1H-indazole-5-carboxamide

6LU

6LU
Name:	4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide
Formula:	C15 H17 N3 O3 S
SMILES:	Cc1cc(cc(c1)C)NC(=O)Nc2ccc(S(=O)(=O)N)cc2
InChi:	InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
Definition date:	2016-05-03
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide

6NY

6NY
Name:	3-{2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy}-N,N-dimethylbenzamide
Formula:	C17 H20 N2 O4
SMILES:	O=C(N(C)C)c2cc(Oc1cc(C(C)O)ccc1NO)ccc2
InChi:	InChI=1S/C17H20N2O4/c1-11(20)12-7-8-15(18-22)16(10-12)23-14-6-4-5-13(9-14)17(21)19(2)3/h4-11,18,20,22H,1-3H3/t11-/m0/s1
Definition date:	2016-05-12
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	3-{2-(hydroxyamino)-5-[(1S)-1-hydroxyethyl]phenoxy}-N,N-dimethylbenzamide

8TZ

8TZ
Name:	(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol
Formula:	C13 H15 F N2 O
SMILES:	CCCc1cc(F)ccc1[CH](O)c2[nH]ccn2
InChi:	InChI=1S/C13H15FN2O/c1-2-3-9-8-10(14)4-5-11(9)12(17)13-15-6-7-16-13/h4-8,12,17H,2-3H2,1H3,(H,15,16)/t12-/m0/s1
Definition date:	2017-03-08
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	(~{S})-(4-fluoranyl-2-propyl-phenyl)-(1~{H}-imidazol-2-yl)methanol

8UN

8UN
Name:	2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide
Formula:	C30 H27 Br N4 O3
SMILES:	C[CH](C1CCCCC1)n2c3ccc(cc3nc2c4cc5OCOc5cc4Br)C(=O)Nc6ccc(cc6)C#N
InChi:	InChI=1S/C30H27BrN4O3/c1-18(20-5-3-2-4-6-20)35-26-12-9-21(30(36)33-22-10-7-19(16-32)8-11-22)13-25(26)34-29(35)23-14-27-28(15-24(23)31)38-17-37-27/h7-15,18,20H,2-6,17H2,1H3,(H,33,36)/t18-/m0/s1
Definition date:	2017-03-09
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide

8W4

8W4
Name:	N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide
Formula:	C36 H43 N5 O5 S
SMILES:	c1c(cccc1)CC(NC(=O)c2cc4c3c(c2)c(CC)cn3CC(S(=O)(N4C)=O)(C)C)C(C6NCCN(Cc5ccccc5)C6=O)O
InChi:	InChI=1S/C36H43N5O5S/c1-5-26-22-41-23-36(2,3)47(45,46)39(4)30-20-27(19-28(26)32(30)41)34(43)38-29(18-24-12-8-6-9-13-24)33(42)31-35(44)40(17-16-37-31)21-25-14-10-7-11-15-25/h6-15,19-20,22,29,31,33,37,42H,5,16-18,21,23H2,1-4H3,(H,38,43)/t29-,31-,33-/m0/s1
Definition date:	2017-03-08
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide

8W7

8W7
Name:	(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione
Formula:	C25 H27 N3 O5
SMILES:	c1cc(c2c(c1)C(N(C2)C3C(NC(CC3)=O)=O)=O)OCc5ccc(CN4CCOCC4)cc5
InChi:	InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1
Definition date:	2017-03-08
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	(3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione

91V

91V
Name:	N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Formula:	C27 H32 N6 O
SMILES:	C3N(CCCCNc1nn2c(cc1)nnc2)CCC(C3)OC(c4ccccc4)c5ccccc5
InChi:	InChI=1S/C27H32N6O/c1-3-9-22(10-4-1)27(23-11-5-2-6-12-23)34-24-15-19-32(20-16-24)18-8-7-17-28-25-13-14-26-30-29-21-33(26)31-25/h1-6,9-14,21,24,27H,7-8,15-20H2,(H,28,31)
Definition date:	2017-03-27
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	N-{4-[4-(diphenylmethoxy)piperidin-1-yl]butyl}[1,2,4]triazolo[4,3-b]pyridazin-6-amine

8EV

8EV
Name:	3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
Formula:	C19 H18 N4 O
SMILES:	c31nc(ccc1ccc(COc2cc(cc(CNC)c2)C#N)c3)N
InChi:	InChI=1S/C19H18N4O/c1-22-11-15-6-14(10-20)7-17(8-15)24-12-13-2-3-16-4-5-19(21)23-18(16)9-13/h2-9,22H,11-12H2,1H3,(H2,21,23)
Definition date:	2017-02-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile

8EY

8EY
Name:	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile
Formula:	C20 H20 N4 O
SMILES:	c1(cc(CNC)cc(c1)OCc2cc3nc(cc(C)c3cc2)N)C#N
InChi:	InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24)
Definition date:	2017-02-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile

8F1

8F1
Name:	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile
Formula:	C21 H22 N4 O
SMILES:	N#Cc1cc(CCNC)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C
InChi:	InChI=1S/C21H22N4O/c1-14-7-21(23)25-20-11-16(3-4-19(14)20)13-26-18-9-15(5-6-24-2)8-17(10-18)12-22/h3-4,7-11,24H,5-6,13H2,1-2H3,(H2,23,25)
Definition date:	2017-02-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile

8F7

8F7
Name:	3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile
Formula:	C21 H22 N4
SMILES:	N#Cc1cc(CNC)cc(c1)CCc2cc3c(cc2)c(cc(N)n3)C
InChi:	InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)
Definition date:	2017-02-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile

8FD

8FD
Name:	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile
Formula:	C22 H24 N4 O
SMILES:	N#Cc1cc(CC(NC)C)cc(c1)OCc2cc3c(cc2)c(cc(N)n3)C
InChi:	InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m0/s1
Definition date:	2017-02-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile

8FM

8FM
Name:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Formula:	C30 H40 N2 O8 S
SMILES:	c5c(S(=O)(N(CC(C)C)CC(O)C(NC(OC2C1COC3C(C1)C2CO3)=O)Cc4ccccc4)=O)ccc(c5)OC
InChi:	InChI=1S/C30H40N2O8S/c1-19(2)15-32(41(35,36)23-11-9-22(37-3)10-12-23)16-27(33)26(13-20-7-5-4-6-8-20)31-30(34)40-28-21-14-24-25(28)18-39-29(24)38-17-21/h4-12,19,21,24-29,33H,13-18H2,1-3H3,(H,31,34)/t21-,24-,25-,26+,27-,28+,29+/m1/s1
Definition date:	2017-02-02
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate

8J1

8J1
Name:	4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
Formula:	C19 H21 N3 O
SMILES:	Nc2nc1cc(ccc1c(c2)C)COc3cc(ccc3)CNC
InChi:	InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)
Definition date:	2017-02-09
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine

8J4

8J4
Name:	7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine
Formula:	C20 H23 N3 O
SMILES:	c31nc(N)ccc1ccc(COc2cc(CNC)cc(c2)CC)c3
InChi:	InChI=1S/C20H23N3O/c1-3-14-8-16(12-22-2)10-18(9-14)24-13-15-4-5-17-6-7-20(21)23-19(17)11-15/h4-11,22H,3,12-13H2,1-2H3,(H2,21,23)
Definition date:	2017-02-09
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine

8J7

8J7
Name:	4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine
Formula:	C20 H23 N3
SMILES:	c31nc(N)cc(C)c1ccc(CCc2cc(ccc2)CNC)c3
InChi:	InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)
Definition date:	2017-02-09
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine

8LW

8LW
Name:	2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Formula:	C22 H17 N3 O3
SMILES:	CN1C(=O)N(C)c2cc(N3C(=O)c4cccc5cccc(C3=O)c45)c(C)cc12
InChi:	InChI=1S/C22H17N3O3/c1-12-10-17-18(24(3)22(28)23(17)2)11-16(12)25-20(26)14-8-4-6-13-7-5-9-15(19(13)14)21(25)27/h4-11H,1-3H3
Definition date:	2017-02-10
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

9EA

9EA
Name:	7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid
Formula:	C46 H46 N6 O5
SMILES:	c2cc(c1ccccc1c2)OCCCc7c6cccc(c3c(n(C)nc3COc4ccc(cc4)N5CCN(C(C)=O)CC5)C)c6n(c7C(O)=O)Cc8cnccc8
InChi:	InChI=1S/C46H46N6O5/c1-31-43(41(48-49(31)3)30-57-36-20-18-35(19-21-36)51-25-23-50(24-26-51)32(2)53)40-15-7-14-38-39(16-9-27-56-42-17-6-12-34-11-4-5-13-37(34)42)45(46(54)55)52(44(38)40)29-33-10-8-22-47-28-33/h4-8,10-15,17-22,28H,9,16,23-27,29-30H2,1-3H3,(H,54,55)
Definition date:	2017-04-24
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid

E62

E62
Name:	(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
Formula:	C20 H27 N O6
SMILES:	CC1C(OC(c2c(C=CCC(C(C(CC1)=O)O)O)cc(NC)cc2O)=O)C
InChi:	InChI=1S/C20H27NO6/c1-11-7-8-16(23)19(25)15(22)6-4-5-13-9-14(21-3)10-17(24)18(13)20(26)27-12(11)2/h4-5,9-12,15,19,21-22,24-25H,6-8H2,1-3H3/b5-4+/t11-,12+,15+,19+/m1/s1
Definition date:	2016-02-08
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	(3S,4R,8S,9S,11E)-8,9,16-trihydroxy-3,4-dimethyl-14-(methylamino)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

0BP

0BP
Name:	2,2'-bipyridine
Formula:	C10 H8 N2
SMILES:	n2c(c1ccccn1)cccc2
InChi:	InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
Definition date:	2017-04-25
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	2,2'-bipyridine

IUU

IUU
Name:	4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboxamidine
Formula:	C9 H7 Cl F N5 O2
SMILES:	Nc1nonc1C(Nc2ccc(F)c(Cl)c2)=NO
InChi:	InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
Definition date:	2017-04-13
Last modified:	2017-04-28
Release date:	2017-05-03
Identifier:	4-azanyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-~{N}'-oxidanyl-1,2,5-oxadiazole-3-carboximidamide

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