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A3E

A3E
Name:	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine
Formula:	C21 H26 N6 O
SMILES:	CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(CN4CCOCC4)cc3
InChi:	InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
Definition date:	2017-08-10
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1,2,3-triazol-4-yl)pyridin-2-amine

79B

79B
Name:	11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m1/s1
Definition date:	2016-09-15
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	11-[(2~{R})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

7E4

7E4
Name:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid
Formula:	C33 H34 N4 O2
SMILES:	OC(=O)CCCCCCCCC#Cc1ccc2C[CH](Cc2c1)Nc3nc(nc4ccccc34)c5cccnc5
InChi:	InChI=1S/C33H34N4O2/c38-31(39)16-8-6-4-2-1-3-5-7-12-24-17-18-25-21-28(22-27(25)20-24)35-33-29-14-9-10-15-30(29)36-32(37-33)26-13-11-19-34-23-26/h9-11,13-15,17-20,23,28H,1-6,8,16,21-22H2,(H,38,39)(H,35,36,37)/t28-/m0/s1
Definition date:	2016-10-13
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	11-[(2~{S})-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-2,3-dihydro-1~{H}-inden-5-yl]undec-10-ynoic acid

A1H

A1H
Name:	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one
Formula:	C13 H14 N8 O2
SMILES:	O=C1N(NC=C1n2ccnn2)c3cc(ncn3)N4CCOCC4
InChi:	InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
Definition date:	2017-08-09
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one

7EJ

7EJ
Name:	1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide
Formula:	C30 H44 N4 O4
SMILES:	C(CCn3c(C(N(CC(C)C)C2CNCC(C(=O)N1CCOCC1)C2)=O)ccc3c4ccccc4)COC
InChi:	InChI=1S/C30H44N4O4/c1-23(2)22-34(26-19-25(20-31-21-26)29(35)32-14-17-38-18-15-32)30(36)28-12-11-27(24-9-5-4-6-10-24)33(28)13-7-8-16-37-3/h4-6,9-12,23,25-26,31H,7-8,13-22H2,1-3H3/t25-,26+/m1/s1
Definition date:	2016-10-14
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-5-phenyl-1H-pyrrole-2-carboxamide

7EK

7EK
Name:	5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C28 H42 N6 O4
SMILES:	C(COC)CCc3c(C(N(CC(C)C)C2CNCC(C(N1CCOCC1)=O)C2)=O)nnn3c4ccccc4
InChi:	InChI=1S/C28H42N6O4/c1-21(2)20-33(24-17-22(18-29-19-24)27(35)32-12-15-38-16-13-32)28(36)26-25(11-7-8-14-37-3)34(31-30-26)23-9-5-4-6-10-23/h4-6,9-10,21-22,24,29H,7-8,11-20H2,1-3H3/t22-,24+/m1/s1
Definition date:	2016-10-14
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide

AQV

AQV
Name:	2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione
Formula:	C22 H22 N2 O3
SMILES:	c12c(cccc1)C(N(C2=O)CC(N3c4c(C(CC3(C)C)C)cccc4)=O)=O
InChi:	InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1
Definition date:	2017-07-24
Last modified:	2017-10-13
Release date:	2017-10-18
Identifier:	2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione

8W2

8W2
Name:	2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one
Formula:	C20 H19 Cl2 N5 O
SMILES:	Clc1cc(Cl)c2cc(CNCCCNC3=Nc4ccccc4C(=O)N3)[nH]c2c1
InChi:	InChI=1S/C20H19Cl2N5O/c21-12-8-16(22)15-10-13(25-18(15)9-12)11-23-6-3-7-24-20-26-17-5-2-1-4-14(17)19(28)27-20/h1-2,4-5,8-10,23,25H,3,6-7,11H2,(H2,24,26,27,28)
Definition date:	2017-03-15
Last modified:	2017-10-06
Release date:	2017-10-11
Identifier:	2-[3-[[4,6-bis(chloranyl)-1~{H}-indol-2-yl]methylamino]propylamino]-3~{H}-quinazolin-4-one

P59

P59
Name:	(2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
Formula:	C20 H15 F N2 O
SMILES:	Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4
InChi:	InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	(2~{R})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

P69

P69
Name:	(2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
Formula:	C20 H15 F N2 O
SMILES:	Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2c4ccccc4
InChi:	InChI=1S/C20H15FN2O/c21-17-12-6-4-10-15(17)19-22-18-13-7-5-11-16(18)20(24)23(19)14-8-2-1-3-9-14/h1-13,19,22H/t19-/m0/s1
Definition date:	2017-02-27
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	(2~{S})-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

U52

U52
Name:	2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide
Formula:	C24 H29 Cl N6 O3
SMILES:	CNC(=O)COC1=Cc2cc(Nc3nc(ncc3Cl)N4C[CH](C)C[CH](C)C4)ccc2N(C)C1=O
InChi:	InChI=1S/C24H29ClN6O3/c1-14-7-15(2)12-31(11-14)24-27-10-18(25)22(29-24)28-17-5-6-19-16(8-17)9-20(23(33)30(19)4)34-13-21(32)26-3/h5-6,8-10,14-15H,7,11-13H2,1-4H3,(H,26,32)(H,27,28,29)/t14-,15+
Definition date:	2017-01-18
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide

CN7

CN7
Name:	7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid
Formula:	C35 H36 N2 O4
SMILES:	c1ccc(c(c1)C)c2c5c(ccc2)c(CCCOc4cccc3ccccc34)c(C(O)=O)n5CCN6CCOCC6
InChi:	InChI=1S/C35H36N2O4/c1-25-9-2-4-12-27(25)29-14-7-15-30-31(16-8-22-41-32-17-6-11-26-10-3-5-13-28(26)32)34(35(38)39)37(33(29)30)19-18-36-20-23-40-24-21-36/h2-7,9-15,17H,8,16,18-24H2,1H3,(H,38,39)
Definition date:	2017-09-28
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid

JAY

JAY
Name:	(2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one
Formula:	C35 H33 F2 N5 O2
SMILES:	Fc1ccccc1[CH]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[CH](Nc6ccccc6C5=O)c7ccccc7F
InChi:	InChI=1S/C35H33F2N5O2/c36-28-13-5-1-9-24(28)32-38-30-15-7-3-11-26(30)34(43)41(32)22-21-40-19-17-23(18-20-40)42-33(25-10-2-6-14-29(25)37)39-31-16-8-4-12-27(31)35(42)44/h1-16,23,32-33,38-39H,17-22H2/t32-,33-/m1/s1
Definition date:	2017-02-27
Last modified:	2017-09-29
Release date:	2017-10-04
Identifier:	(2~{R})-2-(2-fluorophenyl)-3-[2-[4-[(2~{R})-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one

9BV

9BV
Name:	tetrazolo[5,1-b]quinazolin-9-ol
Formula:	C8 H5 N5 O
SMILES:	c21nc3nnnn3c(c1cccc2)O
InChi:	InChI=1S/C8H5N5O/c14-7-5-3-1-2-4-6(5)9-8-10-11-12-13(7)8/h1-4,14H
Definition date:	2017-04-17
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	tetrazolo[5,1-b]quinazolin-9-ol

4YY

4YY
Name:	N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide
Formula:	C26 H33 F N4 O4 S
SMILES:	C1CC1(F)C(=O)NC(C(C)(C)C)C(=O)N2CC(O)CC2C(=O)NCc3ccc(cc3)c4scnc4C
InChi:	InChI=1S/C26H33FN4O4S/c1-15-20(36-14-29-15)17-7-5-16(6-8-17)12-28-22(33)19-11-18(32)13-31(19)23(34)21(25(2,3)4)30-24(35)26(27)9-10-26/h5-8,14,18-19,21,32H,9-13H2,1-4H3,(H,28,33)(H,30,35)/t18-,19+,21-/m1/s1
Definition date:	2015-06-29
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	N-[(1-fluorocyclopropyl)carbonyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide

BW1

BW1
Name:	~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine
Formula:	C23 H22 N4 O
SMILES:	Nc1ccc2c(NCc3occ(CC4CC4)c3)nc(nc2c1)c5ccccc5
InChi:	InChI=1S/C23H22N4O/c24-18-8-9-20-21(12-18)26-22(17-4-2-1-3-5-17)27-23(20)25-13-19-11-16(14-28-19)10-15-6-7-15/h1-5,8-9,11-12,14-15H,6-7,10,13,24H2,(H,25,26,27)
Definition date:	2017-02-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	~{N}4-[[4-(cyclopropylmethyl)furan-2-yl]methyl]-2-phenyl-quinazoline-4,7-diamine

8OH

8OH
Name:	2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine
Formula:	C19 H16 N4 S
SMILES:	Nc1ccc2c(NCc3sccc3)nc(nc2c1)c4ccccc4
InChi:	InChI=1S/C19H16N4S/c20-14-8-9-16-17(11-14)22-18(13-5-2-1-3-6-13)23-19(16)21-12-15-7-4-10-24-15/h1-11H,12,20H2,(H,21,22,23)
Definition date:	2017-02-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	2-phenyl-~{N}4-(thiophen-2-ylmethyl)quinazoline-4,7-diamine

8OK

8OK
Name:	2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine
Formula:	C26 H27 N5 O
SMILES:	Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)c4ccc(cc4)N5CCOCC5
InChi:	InChI=1S/C26H27N5O/c27-21-8-11-23-24(18-21)29-25(30-26(23)28-13-12-19-4-2-1-3-5-19)20-6-9-22(10-7-20)31-14-16-32-17-15-31/h1-11,18H,12-17,27H2,(H,28,29,30)
Definition date:	2017-02-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	2-(4-morpholin-4-ylphenyl)-~{N}4-(2-phenylethyl)quinazoline-4,7-diamine

8ON

8ON
Name:	1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone
Formula:	C28 H30 N6 O
SMILES:	CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc(NCCc4ccccc4)c5ccc(N)cc5n3
InChi:	InChI=1S/C28H30N6O/c1-20(35)33-15-17-34(18-16-33)24-10-7-22(8-11-24)27-31-26-19-23(29)9-12-25(26)28(32-27)30-14-13-21-5-3-2-4-6-21/h2-12,19H,13-18,29H2,1H3,(H,30,31,32)
Definition date:	2017-02-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	1-[4-[4-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]piperazin-1-yl]ethanone

8OT

8OT
Name:	2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine
Formula:	C20 H18 N4 S
SMILES:	Nc1ccc2c(NCCc3sccc3)nc(nc2c1)c4ccccc4
InChi:	InChI=1S/C20H18N4S/c21-15-8-9-17-18(13-15)23-19(14-5-2-1-3-6-14)24-20(17)22-11-10-16-7-4-12-25-16/h1-9,12-13H,10-11,21H2,(H,22,23,24)
Definition date:	2017-02-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	2-phenyl-~{N}4-(2-thiophen-2-ylethyl)quinazoline-4,7-diamine

8OW

8OW
Name:	~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine
Formula:	C21 H17 F N4
SMILES:	Nc1ccc2c(NCc3ccc(F)cc3)nc(nc2c1)c4ccccc4
InChi:	InChI=1S/C21H17FN4/c22-16-8-6-14(7-9-16)13-24-21-18-11-10-17(23)12-19(18)25-20(26-21)15-4-2-1-3-5-15/h1-12H,13,23H2,(H,24,25,26)
Definition date:	2017-02-14
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	~{N}4-[(4-fluorophenyl)methyl]-2-phenyl-quinazoline-4,7-diamine

B4B

B4B
Name:	5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
Formula:	C25 H22 N6
SMILES:	C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5cccc6ncccc56
InChi:	InChI=1S/C25H22N6/c1-3-21(22-4-2-10-27-24(22)5-1)23-16-29-31-17-19(15-28-25(23)31)18-6-8-20(9-7-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2
Definition date:	2017-09-07
Last modified:	2017-09-15
Release date:	2017-09-20
Identifier:	5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

A1Y

A1Y
Name:	4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
Formula:	C12 H15 N3 O
SMILES:	N2(c1c(C#N)c(C)cc(C)n1)CCOCC2
InChi:	InChI=1S/C12H15N3O/c1-9-7-10(2)14-12(11(9)8-13)15-3-5-16-6-4-15/h7H,3-6H2,1-2H3
Definition date:	2017-07-05
Last modified:	2017-09-08
Release date:	2017-09-13
Identifier:	4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile

A2J

A2J
Name:	3-(trifluoromethyl)quinoxalin-2(1H)-one
Formula:	C9 H5 F3 N2 O
SMILES:	c21c(cccc1)NC(=O)C(=N2)C(F)(F)F
InChi:	InChI=1S/C9H5F3N2O/c10-9(11,12)7-8(15)14-6-4-2-1-3-5(6)13-7/h1-4H,(H,14,15)
Definition date:	2017-07-05
Last modified:	2017-09-08
Release date:	2017-09-13
Identifier:	3-(trifluoromethyl)quinoxalin-2(1H)-one

73Y

73Y
Name:	6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide
Formula:	C29 H18 Br N5 O
SMILES:	Brc1cnc2[nH]cnc2c1C(=O)N[CH]3c4ccccc4c5c3cccc5c6cnc7ccccc7c6
InChi:	InChI=1S/C29H18BrN5O/c30-22-14-32-28-27(33-15-34-28)25(22)29(36)35-26-20-8-3-2-7-19(20)24-18(9-5-10-21(24)26)17-12-16-6-1-4-11-23(16)31-13-17/h1-15,26H,(H,35,36)(H,32,33,34)/t26-/m1/s1
Definition date:	2016-08-22
Last modified:	2017-09-08
Release date:	2017-09-13
Identifier:	6-bromanyl-~{N}-[(9~{R})-4-quinolin-3-yl-9~{H}-fluoren-9-yl]-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide

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223532

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