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8LU

8LU
Name:	(2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide
Formula:	C28 H31 Cl F2 N6 O4
SMILES:	FCC(=O)N1CCC[CH]1C(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OCCCN5CCOCC5
InChi:	InChI=1S/C28H31ClF2N6O4/c29-20-13-18(4-5-21(20)31)34-27-19-14-23(35-28(39)24-3-1-7-37(24)26(38)16-30)25(15-22(19)32-17-33-27)41-10-2-6-36-8-11-40-12-9-36/h4-5,13-15,17,24H,1-3,6-12,16H2,(H,35,39)(H,32,33,34)/t24-/m1/s1
Definition date:	2017-08-02
Last modified:	2018-07-20
Release date:	2018-07-25
Identifier:	(2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide

GWG

GWG
Name:	1-methylindazole-3-carboxamide
Formula:	C9 H9 N3 O
SMILES:	Cn1nc(C(N)=O)c2ccccc12
InChi:	InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-methylindazole-3-carboxamide

GWV

GWV
Name:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Formula:	C12 H20 N2
SMILES:	CC(C)NCc1ccc(cc1)N(C)C
InChi:	InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline

8O0

8O0
Name:	Hapalindole A
Formula:	C21 H23 Cl N2
SMILES:	CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:	InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
Definition date:	2017-08-21
Last modified:	2018-07-13
Release date:	2018-07-18

8P6

8P6
Name:	Hapalindole U
Formula:	C21 H24 N2
SMILES:	CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:	InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1
Definition date:	2017-08-23
Last modified:	2018-07-13
Release date:	2018-07-18

D77

D77
Name:	methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
Formula:	C29 H21 N O11
SMILES:	COC(C(O)C(C15OC16c4cc(O)c3C(=O)c2ccc(O)c(c2C(c3c4NC5C#CC=CC#CC6O)=O)O)(C)O)=O
InChi:	InChI=1S/C29H21NO11/c1-27(39,25(37)26(38)40-2)29-16-7-5-3-4-6-8-17(33)28(29,41-29)13-11-15(32)19-20(21(13)30-16)24(36)18-12(22(19)34)9-10-14(31)23(18)35/h3-4,9-11,16-17,25,30-33,35,37,39H,1-2H3/b4-3-/t16-,17+,25-,27+,28-,29+/m0/s1
Definition date:	2017-10-20
Last modified:	2018-06-29
Release date:	2018-07-04
Identifier:	methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate

JX1

JX1
Name:	N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide
Formula:	C28 H23 N3 O5
SMILES:	COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(c(O)cc3O)c4ccc(C)c5ncccc45
InChi:	InChI=1S/C28H23N3O5/c1-15-6-11-19(20-5-4-12-29-26(15)20)21-13-22(24(34)14-23(21)33)27-25(28(36-31-27)30-16(2)32)17-7-9-18(35-3)10-8-17/h4-14,33-34H,1-3H3,(H,30,32)
Definition date:	2017-06-15
Last modified:	2018-06-29
Release date:	2018-07-04
Identifier:	~{N}-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide

7VC

7VC
Name:	4-(7-methoxyquinolin-4-yl)-2-methyl-phenol
Formula:	C17 H15 N O2
SMILES:	COc1ccc2c(c1)nccc2c3ccc(O)c(C)c3
InChi:	InChI=1S/C17H15NO2/c1-11-9-12(3-6-17(11)19)14-7-8-18-16-10-13(20-2)4-5-15(14)16/h3-10,19H,1-2H3
Definition date:	2017-01-19
Last modified:	2018-06-29
Release date:	2018-07-04
Identifier:	4-(7-methoxyquinolin-4-yl)-2-methyl-phenol

7VL

7VL
Name:	4-(7-chloranylquinolin-4-yl)-2-methyl-phenol
Formula:	C16 H12 Cl N O
SMILES:	Cc1cc(ccc1O)c2ccnc3cc(Cl)ccc23
InChi:	InChI=1S/C16H12ClNO/c1-10-8-11(2-5-16(10)19)13-6-7-18-15-9-12(17)3-4-14(13)15/h2-9,19H,1H3
Definition date:	2017-01-19
Last modified:	2018-06-29
Release date:	2018-07-04
Identifier:	4-(7-chloranylquinolin-4-yl)-2-methyl-phenol

GK9

GK9
Name:	1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
Formula:	C16 H14 Cl N3 O2
SMILES:	c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4
InChi:	InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3
Definition date:	2017-12-15
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

A4E

A4E
Name:	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
Formula:	C30 H43 F N5 O3
SMILES:	C[CH]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[CH](C[NH2+]1)CN5CCOC[CH]5C
InChi:	InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1
Definition date:	2017-08-14
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone

E3Y

E3Y
Name:	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
Formula:	C17 H15 Cl N4 O
SMILES:	c2(nc1ncccc1c(n2)N4c3ccc(cc3CCC4)OC)Cl
InChi:	InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3
Definition date:	2017-11-30
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine

E44

E44
Name:	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
Formula:	C17 H15 Cl N4 O
SMILES:	c2(Cl)nc1cccnc1c(n2)N4c3ccc(cc3CCC4)OC
InChi:	InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-15-13(5-2-8-19-15)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3
Definition date:	2017-12-01
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine

E9Y

E9Y
Name:	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
Formula:	C17 H18 N4 O2
SMILES:	c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C
InChi:	InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3
Definition date:	2017-12-15
Last modified:	2018-06-22
Release date:	2018-06-27
Identifier:	1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline

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

FLJ

FLJ
Name:	(3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone
Formula:	C21 H20 F N7 O2
SMILES:	n5c(Nc1c(cc(cc1)C(N2CCOCC2)=O)F)c4ncc(c3cnnc3)n4cc5C
InChi:	InChI=1S/C21H20FN7O2/c1-13-12-29-18(15-9-24-25-10-15)11-23-20(29)19(26-13)27-17-3-2-14(8-16(17)22)21(30)28-4-6-31-7-5-28/h2-3,8-12H,4-7H2,1H3,(H,24,25)(H,26,27)
Definition date:	2018-04-09
Last modified:	2018-06-15
Release date:	2018-06-20
Identifier:	(3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone

DD8

DD8
Name:	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one
Formula:	C21 H20 N4 O2
SMILES:	CN1C(=O)N(C2CCOCC2)c3c1cnc4ccc(cc34)c5cccnc5
InChi:	InChI=1S/C21H20N4O2/c1-24-19-13-23-18-5-4-14(15-3-2-8-22-12-15)11-17(18)20(19)25(21(24)26)16-6-9-27-10-7-16/h2-5,8,11-13,16H,6-7,9-10H2,1H3
Definition date:	2018-01-12
Last modified:	2018-06-15
Release date:	2018-06-20
Identifier:	3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one

9KT

9KT
Name:	1,4-dimethylquinoxaline-2,3-dione
Formula:	C10 H10 N2 O2
SMILES:	CN1C(=O)C(=O)N(C)c2ccccc12
InChi:	InChI=1S/C10H10N2O2/c1-11-7-5-3-4-6-8(7)12(2)10(14)9(11)13/h3-6H,1-2H3
Definition date:	2017-05-31
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	1,4-dimethylquinoxaline-2,3-dione

9KW

9KW
Name:	~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Formula:	C24 H28 N4 O5 S
SMILES:	CN1C(=O)C(=O)N(C)c2cc(N3CCOCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12
InChi:	InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3
Definition date:	2017-05-31
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

9L5

9L5
Name:	~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
Formula:	C19 H23 N5 O2
SMILES:	CCN1C(=O)C(=Nc2cc(ccc12)C(=O)N[CH](C)c3cnn(C)c3C)C
InChi:	InChI=1S/C19H23N5O2/c1-6-24-17-8-7-14(9-16(17)21-12(3)19(24)26)18(25)22-11(2)15-10-20-23(5)13(15)4/h7-11H,6H2,1-5H3,(H,22,25)/t11-/m0/s1
Definition date:	2017-06-01
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide

9LN

9LN
Name:	1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide
Formula:	C22 H21 N5 O3
SMILES:	CCN1C(=O)C(=O)Nc2cc(ccc12)C(=O)N(C)Cc3cnn(c3)c4ccccc4
InChi:	InChI=1S/C22H21N5O3/c1-3-26-19-10-9-16(11-18(19)24-20(28)22(26)30)21(29)25(2)13-15-12-23-27(14-15)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,24,28)
Definition date:	2017-06-02
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide

9LQ

9LQ
Name:	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid
Formula:	C21 H24 B N3 O4 S
SMILES:	OB(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34
InChi:	InChI=1S/C21H24BN3O4S/c26-22(27)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)30(28,29)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-27H,4,11-14,16H2
Definition date:	2017-06-02
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid

9LT

9LT
Name:	1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide
Formula:	C22 H20 F N5 O3
SMILES:	CCN1C(=O)C(=O)Nc2cc(ccc12)C(=O)N[CH](c3cccc(F)c3)c4nccn4C
InChi:	InChI=1S/C22H20FN5O3/c1-3-28-17-8-7-14(12-16(17)25-21(30)22(28)31)20(29)26-18(19-24-9-10-27(19)2)13-5-4-6-15(23)11-13/h4-12,18H,3H2,1-2H3,(H,25,30)(H,26,29)/t18-/m1/s1
Definition date:	2017-06-02
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide

DY8

DY8
Name:	Morpholinohistidine
Formula:	C10 H17 N3 O3
SMILES:	OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCOCC2
InChi:	InChI=1S/C10H15N3O3/c14-10(15)9(5-8-6-11-7-12-8)13-1-3-16-4-2-13/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1
Definition date:	2018-02-05
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	(2~{S})-3-(1~{H}-imidazol-3-ium-5-yl)-2-morpholin-4-ium-4-yl-propanoic acid

E0D

E0D
Name:	(3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid
Formula:	C18 H20 N2 O4
SMILES:	CC(=O)c1cn(CC(=O)N2CCC[CH](C2)C(O)=O)c3ccccc13
InChi:	InChI=1S/C18H20N2O4/c1-12(21)15-10-20(16-7-3-2-6-14(15)16)11-17(22)19-8-4-5-13(9-19)18(23)24/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,23,24)/t13-/m0/s1
Definition date:	2017-07-07
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	(3~{S})-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid

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