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8Q9

8Q9
Name:	2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide
Formula:	C23 H27 Br N4 O7 S
SMILES:	COc1ccc(Br)cc1[S](=O)(=O)Nc2cc3c(C)noc3cc2OCC(=O)NCCN4CCOCC4
InChi:	InChI=1S/C23H27BrN4O7S/c1-15-17-12-18(27-36(30,31)22-11-16(24)3-4-19(22)32-2)21(13-20(17)35-26-15)34-14-23(29)25-5-6-28-7-9-33-10-8-28/h3-4,11-13,27H,5-10,14H2,1-2H3,(H,25,29)
Definition date:	2017-08-24
Last modified:	2018-06-08
Release date:	2018-06-13
Identifier:	2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-~{N}-(2-morpholin-4-ylethyl)ethanamide

9VG

9VG
Name:	methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-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]but-2-enoate
Formula:	C29 H19 N O7
SMILES:	COC(=O)[C@H]=C(C)C21C3Nc6c(C1(O2)C(C#CC=CC#C3)O)cc(c4c6C(c5c(C4=O)cccc5)=O)O
InChi:	InChI=1S/C29H19NO7/c1-15(13-22(33)36-2)28-20-11-5-3-4-6-12-21(32)29(28,37-28)18-14-19(31)23-24(25(18)30-20)27(35)17-10-8-7-9-16(17)26(23)34/h3-4,7-10,13-14,20-21,30-32H,1-2H3/b4-3-,15-13+/t20-,21+,28-,29-/m0/s1
Definition date:	2017-06-14
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-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]but-2-enoate

9ME

9ME
Name:	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone
Formula:	C16 H10 F N O2
SMILES:	Oc1cc(ccc1F)C(=O)c2ccc3ccccc3n2
InChi:	InChI=1S/C16H10FNO2/c17-12-7-5-11(9-15(12)19)16(20)14-8-6-10-3-1-2-4-13(10)18-14/h1-9,19H
Definition date:	2017-06-07
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(4-fluoranyl-3-oxidanyl-phenyl)-quinolin-2-yl-methanone

9MH

9MH
Name:	2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide
Formula:	C18 H14 F N3 O3
SMILES:	NCC(=O)Nc1ccc2ccc(nc2c1)C(=O)c3ccc(F)c(O)c3
InChi:	InChI=1S/C18H14FN3O3/c19-13-5-2-11(7-16(13)23)18(25)14-6-3-10-1-4-12(8-15(10)22-14)21-17(24)9-20/h1-8,23H,9,20H2,(H,21,24)
Definition date:	2017-06-08
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-azanyl-~{N}-[2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinolin-7-yl]ethanamide

9MK

9MK
Name:	(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
Formula:	C17 H12 F N O2
SMILES:	Cc1ccc2nc(ccc2c1)C(=O)c3ccc(F)c(O)c3
InChi:	InChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3
Definition date:	2017-06-08
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone

9N2

9N2
Name:	2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile
Formula:	C17 H9 F N2 O2
SMILES:	Oc1cc(ccc1F)C(=O)c2ccc3ccc(cc3n2)C#N
InChi:	InChI=1S/C17H9FN2O2/c18-13-5-3-12(8-16(13)21)17(22)14-6-4-11-2-1-10(9-19)7-15(11)20-14/h1-8,21H
Definition date:	2017-06-08
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	2-(4-fluoranyl-3-oxidanyl-phenyl)carbonylquinoline-7-carbonitrile

E7W

E7W
Name:	(1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid
Formula:	C22 H25 N5 O2
SMILES:	NCc1cccc(Nc2nc(N[CH]3CCCC[CH]3C(O)=O)nc4ccccc24)c1
InChi:	InChI=1S/C22H25N5O2/c23-13-14-6-5-7-15(12-14)24-20-16-8-1-3-10-18(16)25-22(27-20)26-19-11-4-2-9-17(19)21(28)29/h1,3,5-8,10,12,17,19H,2,4,9,11,13,23H2,(H,28,29)(H2,24,25,26,27)/t17-,19+/m1/s1
Definition date:	2018-02-27
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid

E88

E88
Name:	(2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid
Formula:	C20 H23 N5 O2
SMILES:	CC(C)[CH](Nc1nc(Nc2cccc(CN)c2)c3ccccc3n1)C(O)=O
InChi:	InChI=1S/C20H23N5O2/c1-12(2)17(19(26)27)24-20-23-16-9-4-3-8-15(16)18(25-20)22-14-7-5-6-13(10-14)11-21/h3-10,12,17H,11,21H2,1-2H3,(H,26,27)(H2,22,23,24,25)/t17-/m0/s1
Definition date:	2018-02-27
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	(2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid

F2W

F2W
Name:	6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Formula:	C12 H18 N O2
SMILES:	COc1cc2CC[NH+](C)Cc2cc1OC
InChi:	InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3/p+1
Definition date:	2018-05-22
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium

F2Z

F2Z
Name:	6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one
Formula:	C11 H13 N O3
SMILES:	COc1cc2CNC(=O)Cc2cc1OC
InChi:	InChI=1S/C11H13NO3/c1-14-9-3-7-5-11(13)12-6-8(7)4-10(9)15-2/h3-4H,5-6H2,1-2H3,(H,12,13)
Definition date:	2018-05-22
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	6,7-dimethoxy-2,4-dihydro-1~{H}-isoquinolin-3-one

7CB

7CB
Name:	isoquinoline-5-sulfonamide
Formula:	C9 H8 N2 O2 S
SMILES:	N[S](=O)(=O)c1cccc2cnccc12
InChi:	InChI=1S/C9H8N2O2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H2,10,12,13)
Definition date:	2016-10-05
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	isoquinoline-5-sulfonamide

7CT

7CT
Name:	~{N}-methylisoquinoline-5-sulfonamide
Formula:	C10 H10 N2 O2 S
SMILES:	CN[S](=O)(=O)c1cccc2cnccc12
InChi:	InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3
Definition date:	2016-10-05
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	~{N}-methylisoquinoline-5-sulfonamide

7K7

7K7
Name:	5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline
Formula:	C15 H20 N3 O2 S
SMILES:	C[CH]1C[NH2+]CCCN1[S](=O)(=O)c2cccc3cnccc23
InChi:	InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/p+1/t12-/m1/s1
Definition date:	2016-11-03
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline

7KB

7KB
Name:	5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline
Formula:	C15 H19 N3 O2 S
SMILES:	Cc1cncc2cccc(c12)[S](=O)(=O)N3CCCNCC3
InChi:	InChI=1S/C15H19N3O2S/c1-12-10-17-11-13-4-2-5-14(15(12)13)21(19,20)18-8-3-6-16-7-9-18/h2,4-5,10-11,16H,3,6-9H2,1H3
Definition date:	2016-11-04
Last modified:	2018-06-01
Release date:	2018-06-06
Identifier:	5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline

9EN

9EN
Name:	~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide
Formula:	C16 H20 F N3 O3 S
SMILES:	CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(N3CCSCC3)c(F)c2
InChi:	InChI=1S/C16H20FN3O3S/c1-11(21)18-9-13-10-20(16(22)23-13)12-2-3-15(14(17)8-12)19-4-6-24-7-5-19/h2-3,8,13H,4-7,9-10H2,1H3,(H,18,21)/t13-/m0/s1
Definition date:	2017-05-12
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	~{N}-[[(5~{S})-3-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide

B5Q

B5Q
Name:	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone
Formula:	C25 H23 N5 O
SMILES:	CNCc1ccccc1c2ccc3nc(N)nc(C(=O)N4Cc5ccccc5C4)c3c2
InChi:	InChI=1S/C25H23N5O/c1-27-13-17-6-4-5-9-20(17)16-10-11-22-21(12-16)23(29-25(26)28-22)24(31)30-14-18-7-2-3-8-19(18)15-30/h2-12,27H,13-15H2,1H3,(H2,26,28,29)
Definition date:	2017-09-18
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	[2-azanyl-6-[2-(methylaminomethyl)phenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone

ESQ

ESQ
Name:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one
Formula:	C23 H28 Cl N5 O3
SMILES:	Clc1cnc(NC2CCOCC2)nc1c3ccc4CN(CCN5CCOCC5)C(=O)c4c3
InChi:	InChI=1S/C23H28ClN5O3/c24-20-14-25-23(26-18-3-9-31-10-4-18)27-21(20)16-1-2-17-15-29(22(30)19(17)13-16)6-5-28-7-11-32-12-8-28/h1-2,13-14,18H,3-12,15H2,(H,25,26,27)
Definition date:	2018-04-11
Last modified:	2018-05-25
Release date:	2018-05-30
Identifier:	6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one

9R8

9R8
Name:	6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl)-amide
Formula:	C27 H28 N4 O3
SMILES:	CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc(cc4)N5CCOCC5
InChi:	InChI=1S/C27H28N4O3/c1-18-4-3-5-19(14-18)15-24-22-16-23(26(32)17-25(22)29-28-24)27(33)30(2)20-6-8-21(9-7-20)31-10-12-34-13-11-31/h3-9,14,16-17,32H,10-13,15H2,1-2H3,(H,28,29)
Definition date:	2017-07-03
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	~{N}-methyl-3-[(3-methylphenyl)methyl]-~{N}-(4-morpholin-4-ylphenyl)-6-oxidanyl-1~{H}-indazole-5-carboxamide

CJQ

CJQ
Name:	2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide
Formula:	C21 H28 N4 O3 S
SMILES:	NC(=O)C[CH]1CCc2sc3ncnc(O[CH]4CC[CH](CC4)N5CCOCC5)c3c12
InChi:	InChI=1S/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2-[(3~{R})-12-(4-morpholin-4-ylcyclohexyl)oxy-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethanamide

EZB

EZB
Name:	5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one
Formula:	C18 H13 N3 O
SMILES:	Cc1c(ccc2N=CNC(=O)c12)c3cccc4ncccc34
InChi:	InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)
Definition date:	2018-05-10
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one

F54

F54
Name:	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid
Formula:	C23 H16 Cl F N2 O2
SMILES:	c2(c1ccc(C)nc1Cl)ccc(cc2)c4nc3ccc(F)cc3c(c4C)C(=O)O
InChi:	InChI=1S/C23H16ClFN2O2/c1-12-3-9-17(22(24)26-12)14-4-6-15(7-5-14)21-13(2)20(23(28)29)18-11-16(25)8-10-19(18)27-21/h3-11H,1-2H3,(H,28,29)
Definition date:	2018-02-27
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid

EUN

EUN
Name:	2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one
Formula:	C19 H15 N3 O
SMILES:	CC1=Nc2ccc(c(C)c2C(=O)N1)c3ccnc4ccccc34
InChi:	InChI=1S/C19H15N3O/c1-11-13(7-8-17-18(11)19(23)22-12(2)21-17)14-9-10-20-16-6-4-3-5-15(14)16/h3-10H,1-2H3,(H,21,22,23)
Definition date:	2018-04-19
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	2,5-dimethyl-6-quinolin-4-yl-3~{H}-quinazolin-4-one

IR2

IR2
Name:	3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one
Formula:	C27 H22 N4 O2
SMILES:	O=C1N(C=Nc2ccc(cc12)c3ccnc4ccccc34)c5ccc(cc5)N6CCOCC6
InChi:	InChI=1S/C27H22N4O2/c32-27-24-17-19(22-11-12-28-25-4-2-1-3-23(22)25)5-10-26(24)29-18-31(27)21-8-6-20(7-9-21)30-13-15-33-16-14-30/h1-12,17-18H,13-16H2
Definition date:	2018-05-15
Last modified:	2018-05-18
Release date:	2018-05-23
Identifier:	3-(4-morpholin-4-ylphenyl)-6-quinolin-4-yl-quinazolin-4-one

95B

95B
Name:	Azotochelin
Formula:	C20 H22 N2 O8
SMILES:	OC(=O)[CH](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c2cccc(O)c2O
InChi:	InChI=1S/C20H22N2O8/c23-14-8-3-5-11(16(14)25)18(27)21-10-2-1-7-13(20(29)30)22-19(28)12-6-4-9-15(24)17(12)26/h3-6,8-9,13,23-26H,1-2,7,10H2,(H,21,27)(H,22,28)(H,29,30)/t13-/m0/s1
Definition date:	2017-04-21
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{S})-2,6-bis[[2,3-bis(oxidanyl)phenyl]carbonylamino]hexanoic acid

9KZ

9KZ
Name:	ethyl 2,4-dimethylquinoline-3-carboxylate
Formula:	C14 H15 N O2
SMILES:	CCOC(=O)c1c(C)nc2ccccc2c1C
InChi:	InChI=1S/C14H15NO2/c1-4-17-14(16)13-9(2)11-7-5-6-8-12(11)15-10(13)3/h5-8H,4H2,1-3H3
Definition date:	2017-05-31
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	ethyl 2,4-dimethylquinoline-3-carboxylate

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