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Z1B

Z1B
Name:	N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide
Formula:	C39 H49 F2 N5 O9 S
SMILES:	C4(Oc3c1c(cc(cc1)OC)nc(c2ccccc2)c3)CN(C(C4)C(=O)NC(C(NS(C5CC5)(=O)=O)=O)CC(F)F)C(C(NC(=O)OC(C)(C)C)C(C)(C)C)=O
InChi:	InChI=1S/C39H49F2N5O9S/c1-38(2,3)33(44-37(50)55-39(4,5)6)36(49)46-21-24(18-30(46)35(48)43-29(20-32(40)41)34(47)45-56(51,52)25-14-15-25)54-31-19-27(22-11-9-8-10-12-22)42-28-17-23(53-7)13-16-26(28)31/h8-13,16-17,19,24-25,29-30,32-33H,14-15,18,20-21H2,1-7H3,(H,43,48)(H,44,50)(H,45,47)/t24-,29+,30+,33-/m1/s1
Definition date:	2017-11-29
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide

Z1E

Z1E
Name:	N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide
Formula:	C34 H44 Cl F2 N5 O9 S
SMILES:	C1(C(C1)C(F)F)(NC(C2N(C(C(NC(OC(C)(C)C)=O)C(C)(C)C)=O)CC(C2)Oc4c3cc(ccc3c(cn4)OC)Cl)=O)C(NS(C5CC5)(=O)=O)=O
InChi:	InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1
Definition date:	2017-11-29
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide

C51

C51
Name:	(2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide
Formula:	C25 H25 N3 O
SMILES:	c1(ccc(C#N)cc1)NC(C(C4CCC(c2ccnc3c2cccc3)CC4)C)=O
InChi:	InChI=1S/C25H25N3O/c1-17(25(29)28-21-12-6-18(16-26)7-13-21)19-8-10-20(11-9-19)22-14-15-27-24-5-3-2-4-23(22)24/h2-7,12-15,17,19-20H,8-11H2,1H3,(H,28,29)/t17-,19-,20+/m1/s1
Definition date:	2017-09-13
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	(2R)-N-(4-cyanophenyl)-2-[cis-4-(quinolin-4-yl)cyclohexyl]propanamide

9D5

9D5
Name:	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one
Formula:	C17 H19 N3 O2
SMILES:	CN(CCO)c1ccc(cc1)[CH]2NC(=O)c3ccccc3N2
InChi:	InChI=1S/C17H19N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,16,18,21H,10-11H2,1H3,(H,19,22)/t16-/m0/s1
Definition date:	2017-05-10
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one

8RT

8RT
Name:	(2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide
Formula:	C22 H21 F3 N4 O3
SMILES:	Cn1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14
InChi:	InChI=1S/C22H21F3N4O3/c1-28-13-17(16-8-2-3-9-18(16)28)27-21(31)29-11-5-10-19(29)20(30)26-14-6-4-7-15(12-14)32-22(23,24)25/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,26,30)(H,27,31)/t19-/m0/s1
Definition date:	2017-02-28
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	(2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide

90P

90P
Name:	N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine
Formula:	C24 H37 N5 O2
SMILES:	c3(nc(NC1CCN(CC)CC1)c2cc(OC)c(cc2n3)OC)N(C)C4CCCCC4
InChi:	InChI=1S/C24H37N5O2/c1-5-29-13-11-17(12-14-29)25-23-19-15-21(30-3)22(31-4)16-20(19)26-24(27-23)28(2)18-9-7-6-8-10-18/h15-18H,5-14H2,1-4H3,(H,25,26,27)
Definition date:	2017-03-24
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine

CWV

CWV
Name:	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid
Formula:	C15 H13 B N2 O2
SMILES:	B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3
InChi:	InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18)
Definition date:	2017-10-05
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid

E3S

E3S
Name:	(1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:	C26 H28 F N3 O5
SMILES:	c3cc2C(C(=O)Nc1cc(c(cc1)C(C)(C)C)F)N(CCc2cc3OC)C(CC4=CC(=O)NO4)=O
InChi:	InChI=1S/C26H28FN3O5/c1-26(2,3)20-8-5-16(12-21(20)27)28-25(33)24-19-7-6-17(34-4)11-15(19)9-10-30(24)23(32)14-18-13-22(31)29-35-18/h5-8,11-13,24H,9-10,14H2,1-4H3,(H,28,33)(H,29,31)/t24-/m1/s1
Definition date:	2017-11-30
Last modified:	2018-03-16
Release date:	2018-03-21
Identifier:	(1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

AAK

AAK
Name:	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
Formula:	C16 H22 N2 O3
SMILES:	CCC(=O)N1CCN(C(=O)OC(C)(C)C)c2ccccc12
InChi:	InChI=1S/C16H22N2O3/c1-5-14(19)17-10-11-18(15(20)21-16(2,3)4)13-9-7-6-8-12(13)17/h6-9H,5,10-11H2,1-4H3
Definition date:	2017-08-18
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

9YZ

9YZ
Name:	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
Formula:	C13 H16 N2 O3
SMILES:	CCC(=O)N1CCN(C(=O)OC)c2ccccc12
InChi:	InChI=1S/C13H16N2O3/c1-3-12(16)14-8-9-15(13(17)18-2)11-7-5-4-6-10(11)14/h4-7H,3,8-9H2,1-2H3
Definition date:	2017-08-05
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

6VK

6VK
Name:	(4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Formula:	C22 H25 N3 O
SMILES:	CC1(C)CC(=O)C2=C(C1)Nc3n[nH]c(C4CC4)c3[C]2(C)c5ccccc5
InChi:	InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1
Definition date:	2016-07-05
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	(4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one

6VL

6VL
Name:	(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Formula:	C20 H23 N3 O
SMILES:	CC[C]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4
InChi:	InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1
Definition date:	2016-07-05
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one

6VM

6VM
Name:	(4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Formula:	C24 H31 N3 O
SMILES:	CC(C)(C)Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C](C)(c4ccccc4)c12
InChi:	InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1
Definition date:	2016-07-05
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	(4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one

9A8

9A8
Name:	2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one
Formula:	C17 H16 N2 O2
SMILES:	CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChi:	InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20)
Definition date:	2017-05-02
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one

9AN

9AN
Name:	2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
Formula:	C14 H10 N2 O2
SMILES:	Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
InChi:	InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
Definition date:	2017-05-04
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one

9AQ

9AQ
Name:	2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one
Formula:	C16 H14 N2 O2
SMILES:	CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChi:	InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)
Definition date:	2017-05-04
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one

9AW

9AW
Name:	2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one
Formula:	C19 H13 N3 O
SMILES:	O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4
InChi:	InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23)
Definition date:	2017-05-04
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one

9B2

9B2
Name:	2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one
Formula:	C19 H19 N3 O
SMILES:	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4
InChi:	InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23)
Definition date:	2017-05-04
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one

9C8

9C8
Name:	2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one
Formula:	C18 H19 N3 O
SMILES:	CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChi:	InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12H,3-4H2,1-2H3,(H,19,20,22)
Definition date:	2017-05-05
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one

9CB

9CB
Name:	7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
Formula:	C17 H16 Cl N3 O2
SMILES:	CN(CCO)c1ccc(cc1)C2=Nc3cc(Cl)ccc3C(=O)N2
InChi:	InChI=1S/C17H16ClN3O2/c1-21(8-9-22)13-5-2-11(3-6-13)16-19-15-10-12(18)4-7-14(15)17(23)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20,23)
Definition date:	2017-05-05
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one

AEQ

AEQ
Name:	methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
Formula:	C14 H17 N O3
SMILES:	CCC(=O)N1CCCc2cc(ccc12)C(=O)OC
InChi:	InChI=1S/C14H17NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h6-7,9H,3-5,8H2,1-2H3
Definition date:	2017-08-18
Last modified:	2018-03-09
Release date:	2018-03-14
Identifier:	methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate

86U

86U
Name:	6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
Formula:	C16 H17 F2 N3 O2
SMILES:	Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1F
InChi:	InChI=1S/C16H17F2N3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1
Definition date:	2017-04-27
Last modified:	2018-03-02
Release date:	2018-03-07
Identifier:	6,7-bis(fluoranyl)-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one

86X

86X
Name:	6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
Formula:	C16 H17 Cl F N3 O2
SMILES:	Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1Cl
InChi:	InChI=1S/C16H17ClFN3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1
Definition date:	2017-04-27
Last modified:	2018-03-02
Release date:	2018-03-07
Identifier:	6-chloranyl-7-fluoranyl-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one

873

873
Name:	3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
Formula:	C16 H21 N3 O3
SMILES:	O[CH](C[CH]1NCCC[CH]1O)CN2C=Nc3ccccc3C2=O
InChi:	InChI=1S/C16H21N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10-11,14-15,17,20-21H,3,6-9H2/t11-,14-,15-/m1/s1
Definition date:	2017-04-27
Last modified:	2018-03-02
Release date:	2018-03-07
Identifier:	3-[(2~{R})-2-oxidanyl-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one

87C

87C
Name:	3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
Formula:	C16 H23 N3 O3
SMILES:	O[CH]1CCCN[CH]1CC(=O)CN2C=NC3=C(CCCC3)C2=O
InChi:	InChI=1S/C16H23N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h10,14-15,17,21H,1-9H2/t14-,15-/m1/s1
Definition date:	2017-04-27
Last modified:	2018-03-02
Release date:	2018-03-07
Identifier:	3-[2-oxidanylidene-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one

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223532

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