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JWD

JWD
Name:	5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
Formula:	C19 H17 N3 O2
SMILES:	c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C
InChi:	InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
Definition date:	2018-10-05
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline

EC8

EC8
Name:	N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide
Formula:	C16 H9 F4 N3 O4
SMILES:	Oc1ccccc1C(=O)NN2C(=O)C(=O)Nc3cc(c(F)cc23)C(F)(F)F
InChi:	InChI=1S/C16H9F4N3O4/c17-9-6-11-10(5-8(9)16(18,19)20)21-14(26)15(27)23(11)22-13(25)7-3-1-2-4-12(7)24/h1-6,24H,(H,21,26)(H,22,25)
Definition date:	2018-03-14
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	~{N}-[7-fluoranyl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]-2-oxidanyl-benzamide

KJS

KJS
Name:	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole
Formula:	C29 H36 N4 O3
SMILES:	c1c(ccc(c1)CCc4n(c2c(cc(cc2)c3c(noc3C)C)n4)CCN5CCOCC5)OCCC
InChi:	InChI=1S/C29H36N4O3/c1-4-17-35-25-9-5-23(6-10-25)7-12-28-30-26-20-24(29-21(2)31-36-22(29)3)8-11-27(26)33(28)14-13-32-15-18-34-19-16-32/h5-6,8-11,20H,4,7,12-19H2,1-3H3
Definition date:	2018-12-19
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-[2-(4-propoxyphenyl)ethyl]-1H-benzimidazole

EGJ

EGJ
Name:	(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid
Formula:	C27 H26 Cl F N4 O2 S
SMILES:	c5ccc(CN1CCC(C(O)=O)(CC1C)Cc2c4ccccc4cc(n2)Nc3sccn3)c(c5Cl)F
InChi:	InChI=1S/C27H26ClFN4O2S/c1-17-14-27(25(34)35,9-11-33(17)16-19-6-4-8-21(28)24(19)29)15-22-20-7-3-2-5-18(20)13-23(31-22)32-26-30-10-12-36-26/h2-8,10,12-13,17H,9,11,14-16H2,1H3,(H,34,35)(H,30,31,32)/t17-,27+/m0/s1
Definition date:	2018-01-10
Last modified:	2019-01-18
Release date:	2019-01-23
Identifier:	(2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid

VGI

VGI
Name:	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1h-benzo[de]isoquinoline-1,3(2h)-dione
Formula:	C20 H15 Br N2 O3
SMILES:	Brc1cccc(c1)N4C(=O)c3cccc2c(ccc(c23)C4=O)NCCO
InChi:	InChI=1S/C20H15BrN2O3/c21-12-3-1-4-13(11-12)23-19(25)15-6-2-5-14-17(22-9-10-24)8-7-16(18(14)15)20(23)26/h1-8,11,22,24H,9-10H2
Definition date:	2009-05-05
Last modified:	2019-01-15
Identifier:	2-(3-bromophenyl)-6-[(2-hydroxyethyl)amino]-1H-benzo[de]isoquinoline-1,3(2H)-dione

GBQ

GBQ
Name:	5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Formula:	C23 H21 F7 N4 O3
SMILES:	C[CH](O[CH]1OCCN(CC2=NC(=O)NN2)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
Definition date:	2018-09-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

92X

92X
Name:	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:	C24 H22 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4ccccc4C
InChi:	InChI=1S/C24H22N2O5/c1-13-7-4-5-8-16(13)26-23(30)20-14(2)15(11-12-17(20)25(3)24(26)31)22(29)21-18(27)9-6-10-19(21)28/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3
Definition date:	2017-12-07
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

94L

94L
Name:	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:	C24 H22 N2 O5
SMILES:	CN1C(=O)N(C(=O)c2cc(ccc12)C(=O)C3=C(O)CCCC3=O)c4c(C)cccc4C
InChi:	InChI=1S/C24H22N2O5/c1-13-6-4-7-14(2)21(13)26-23(30)16-12-15(10-11-17(16)25(3)24(26)31)22(29)20-18(27)8-5-9-19(20)28/h4,6-7,10-12,27H,5,8-9H2,1-3H3
Definition date:	2017-12-14
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione

JYG

JYG
Name:	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
Formula:	C23 H25 N5 O2
SMILES:	CC1NC(c2c1nc(c2)c3c5c(ccc3)C(N(C(NC4(CC4)C)=N5)C6(CC6)C)=O)=O
InChi:	InChI=1S/C23H25N5O2/c1-12-17-15(19(29)24-12)11-16(25-17)13-5-4-6-14-18(13)26-21(27-22(2)7-8-22)28(20(14)30)23(3)9-10-23/h4-6,11-12,25H,7-10H2,1-3H3,(H,24,29)(H,26,27)/t12-/m1/s1
Definition date:	2018-10-19
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one

FX2

FX2
Name:	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one
Formula:	C22 H18 F3 N3 O3
SMILES:	COc1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3
InChi:	InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
Definition date:	2018-08-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one

EGP

EGP
Name:	N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Formula:	C31 H39 N7 O2 S
SMILES:	n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6
InChi:	InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea

95Y

95Y
Name:	N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
Formula:	C18 H23 Br N4 O5 S2
SMILES:	c2(nc(NC(=O)NS(c1cc(c(CCOC)s1)C)(=O)=O)cc(c2)Br)N3CCOCC3
InChi:	InChI=1S/C18H23BrN4O5S2/c1-12-9-17(29-14(12)3-6-27-2)30(25,26)22-18(24)21-15-10-13(19)11-16(20-15)23-4-7-28-8-5-23/h9-11H,3-8H2,1-2H3,(H2,20,21,22,24)
Definition date:	2017-04-03
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N-{[4-bromo-6-(morpholin-4-yl)pyridin-2-yl]carbamoyl}-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide

JY4

JY4
Name:	7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline
Formula:	C12 H12 N4 O2
SMILES:	c23c1c(cc(c(c1)OC)OC)nnc2nnc3C
InChi:	InChI=1S/C12H12N4O2/c1-6-11-7-4-9(17-2)10(18-3)5-8(7)14-16-12(11)15-13-6/h4-5H,1-3H3,(H,13,15,16)
Definition date:	2018-10-17
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline

JY7

JY7
Name:	8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline
Formula:	C17 H14 F N5 O
SMILES:	n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C
InChi:	InChI=1S/C17H14FN5O/c1-9-8-19-5-4-11(9)16-14-12-6-10(18)7-13(24-3)15(12)20-21-17(14)23(2)22-16/h4-8H,1-3H3
Definition date:	2018-10-17
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline

PQD

PQD
Name:	7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
Formula:	C17 H16 N6
SMILES:	c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N
InChi:	InChI=1S/C17H16N6/c18-11-3-1-2-10(8-11)9-23-7-6-12-14(23)5-4-13-15(12)16(19)22-17(20)21-13/h1-8H,9,18H2,(H4,19,20,21,22)
Definition date:	2018-03-16
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine

KKG

KKG
Name:	(4-oxoquinazolin-3(4H)-yl)acetic acid
Formula:	C10 H8 N2 O3
SMILES:	C(CN1C=Nc2c(C1=O)cccc2)(O)=O
InChi:	InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
Definition date:	2018-12-21
Last modified:	2018-12-28
Release date:	2019-01-02
Identifier:	(4-oxoquinazolin-3(4H)-yl)acetic acid

H0Z

H0Z
Name:	bicuculline methochloride
Formula:	C20 H17 N O6
SMILES:	CN1CCc2cc3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OCOc6ccc45
InChi:	InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Definition date:	2018-11-01
Last modified:	2018-12-28
Release date:	2019-01-02
Identifier:	(6~{R})-6-[(5~{S})-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6~{H}-furo[3,4-g][1,3]benzodioxol-8-one

K0D

K0D
Name:	[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
Formula:	C9 H13 N3 O2 S
SMILES:	n2cc(C(N1C(C)COC(C)C1)=O)ns2
InChi:	InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3/t6-,7+/m0/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone

K1J

K1J
Name:	(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Formula:	C9 H15 N3 O S
SMILES:	n1c(snc1C)N2C(C)C(C)OCC2
InChi:	InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

K31

K31
Name:	2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline
Formula:	C11 H13 N3
SMILES:	n2nc(c(c1ccccc1N)c2C)C
InChi:	InChI=1S/C11H13N3/c1-7-11(8(2)14-13-7)9-5-3-4-6-10(9)12/h3-6H,12H2,1-2H3,(H,13,14)
Definition date:	2018-10-25
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	2-(3,5-dimethyl-1H-pyrazol-4-yl)aniline

K5P

K5P
Name:	(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Formula:	C27 H27 N O4
SMILES:	c4c(N3C(c1ccc(cc1)OC)C(c2ccccc2C3=O)C(=O)O)ccc(c4)C(C)(C)C
InChi:	InChI=1S/C27H27NO4/c1-27(2,3)18-11-13-19(14-12-18)28-24(17-9-15-20(32-4)16-10-17)23(26(30)31)21-7-5-6-8-22(21)25(28)29/h5-16,23-24H,1-4H3,(H,30,31)/t23-,24+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	(3S,4S)-2-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid

K5S

K5S
Name:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
Formula:	C29 H27 Cl F N O5
SMILES:	Fc1ccc5c(c1)C(=O)N(c2cc(Cl)c(C(C)(C)C)cc2)C(c4cc3OCCOc3cc4)C5CC(O)=O
InChi:	InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid

FWH

FWH
Name:	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
Formula:	C25 H20 N2
SMILES:	Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)nc5ccccc45
InChi:	InChI=1S/C25H20N2/c1-16-14-21(19-8-4-6-10-23(19)26-16)17(2)18-12-13-25-22(15-18)20-9-5-7-11-24(20)27(25)3/h4-15H,2H2,1,3H3
Definition date:	2018-08-03
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole

CQT

CQT
Name:	~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide
Formula:	C14 H19 N7 O2
SMILES:	O=C(NCCCN1CCOCC1)c2cc(ccn2)c3n[nH]nn3
InChi:	InChI=1S/C14H19N7O2/c22-14(16-3-1-5-21-6-8-23-9-7-21)12-10-11(2-4-15-12)13-17-19-20-18-13/h2,4,10H,1,3,5-9H2,(H,16,22)(H,17,18,19,20)
Definition date:	2017-12-03
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	~{N}-(3-morpholin-4-ylpropyl)-4-(2~{H}-1,2,3,4-tetrazol-5-yl)pyridine-2-carboxamide

9E3

9E3
Name:	5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol
Formula:	C13 H10 F N3 O
SMILES:	Oc1ccc(Cn2cnc(F)c2)c3cccnc13
InChi:	InChI=1S/C13H10FN3O/c14-12-7-17(8-16-12)6-9-3-4-11(18)13-10(9)2-1-5-15-13/h1-5,7-8,18H,6H2
Definition date:	2018-03-21
Last modified:	2018-12-07
Release date:	2018-12-12
Identifier:	5-[(4-fluoranylimidazol-1-yl)methyl]quinolin-8-ol

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