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RCZ

RCZ
Name:	Ru(TAP)2(Cl-dppz) complex
Formula:	C38 H21 Cl N12 Ru
SMILES:	Clc2ccc1nc3c6c5c4c(c3nc1c2)cccn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc%13
InChi:	InChI=1S/C18H9ClN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15
Definition date:	2013-01-09
Last modified:	2013-07-12
Release date:	2013-07-17
Identifier:	(11-chlorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+)

G1W

G1W
Name:	methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate
Formula:	C26 H22 F N O6 S
SMILES:	O=S(=O)(c1ccc(cc1)CC=3C(=O)c2c(cc(F)cc2)N(C=3C(=O)OC)c4ccccc4)CCO
InChi:	InChI=1S/C26H22FNO6S/c1-34-26(31)24-22(15-17-7-10-20(11-8-17)35(32,33)14-13-29)25(30)21-12-9-18(27)16-23(21)28(24)19-5-3-2-4-6-19/h2-12,16,29H,13-15H2,1H3
Definition date:	2012-07-26
Last modified:	2013-07-12
Release date:	2013-07-17
Identifier:	methyl 7-fluoro-3-{4-[(2-hydroxyethyl)sulfonyl]benzyl}-4-oxo-1-phenyl-1,4-dihydroquinoline-2-carboxylate

1NU

1NU
Name:	1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1H)-one
Formula:	C22 H12 F6 N2 O2
SMILES:	FC(F)(F)c4ccccc4Oc3ccc1c(C(=O)N=CN1Cc2c(F)cc(F)cc2F)c3
InChi:	InChI=1S/C22H12F6N2O2/c23-12-7-17(24)15(18(25)8-12)10-30-11-29-21(31)14-9-13(5-6-19(14)30)32-20-4-2-1-3-16(20)22(26,27)28/h1-9,11H,10H2
Definition date:	2013-04-08
Last modified:	2013-07-05
Release date:	2013-07-10
Identifier:	1-(2,4,6-trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]quinazolin-4(1H)-one

G17

G17
Name:	N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide
Formula:	C26 H21 F3 N4 O
SMILES:	FC(F)(F)c1cccc(c1)C(=O)Nc5cc(c4cc2c(nc(nc2)NC3CC3)cc4)c(cc5)C
InChi:	InChI=1S/C26H21F3N4O/c1-15-5-7-21(31-24(34)17-3-2-4-19(12-17)26(27,28)29)13-22(15)16-6-10-23-18(11-16)14-30-25(33-23)32-20-8-9-20/h2-7,10-14,20H,8-9H2,1H3,(H,31,34)(H,30,32,33)
Definition date:	2012-12-12
Last modified:	2013-07-05
Release date:	2013-07-10
Identifier:	N-{3-[2-(cyclopropylamino)quinazolin-6-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide

AJ2

AJ2
Name:	4-methylquinolin-2-ol
Formula:	C10 H9 N O
SMILES:	Oc1nc2ccccc2c(c1)C
InChi:	InChI=1S/C10H9NO/c1-7-6-10(12)11-9-5-3-2-4-8(7)9/h2-6H,1H3,(H,11,12)
Definition date:	2013-01-29
Last modified:	2013-07-05
Release date:	2013-07-10
Identifier:	4-methylquinolin-2-ol

0VV

0VV
Name:	N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide
Formula:	C8 H10 N4 O2 S
SMILES:	O=S(=O)(/N=C2/Nc1c(cccc1)CN2)N
InChi:	InChI=1S/C8H10N4O2S/c9-15(13,14)12-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H2,9,13,14)(H2,10,11,12)
Definition date:	2012-07-15
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide

1NV

1NV
Name:	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide
Formula:	C23 H13 F6 N3 O3
SMILES:	FC(F)(F)c4c(C(=O)N)cccc4Oc3ccc1c(C(=O)N=CN1Cc2c(F)cc(F)cc2F)c3
InChi:	InChI=1S/C23H13F6N3O3/c24-11-6-16(25)15(17(26)7-11)9-32-10-31-22(34)14-8-12(4-5-18(14)32)35-19-3-1-2-13(21(30)33)20(19)23(27,28)29/h1-8,10H,9H2,(H2,30,33)
Definition date:	2013-04-08
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-2-(trifluoromethyl)benzamide

1NW

1NW
Name:	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide
Formula:	C28 H16 F6 N4 O3
SMILES:	FC(F)(F)c5c(C(=O)Nc1cccnc1)cccc5Oc4ccc2c(C(=O)N=CN2Cc3c(F)cc(F)cc3F)c4
InChi:	InChI=1S/C28H16F6N4O3/c29-15-9-21(30)20(22(31)10-15)13-38-14-36-26(39)19-11-17(6-7-23(19)38)41-24-5-1-4-18(25(24)28(32,33)34)27(40)37-16-3-2-8-35-12-16/h1-12,14H,13H2,(H,37,40)
Definition date:	2013-04-08
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide

1NZ

1NZ
Name:	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one
Formula:	C28 H14 F6 N4 O3
SMILES:	Fc1cc(F)cc(F)c1CN6C=NC(=O)c5cc(Oc4cccc(c2nc3ncccc3o2)c4C(F)(F)F)ccc56
InChi:	InChI=1S/C28H14F6N4O3/c29-14-9-19(30)18(20(31)10-14)12-38-13-36-26(39)17-11-15(6-7-21(17)38)40-22-4-1-3-16(24(22)28(32,33)34)27-37-25-23(41-27)5-2-8-35-25/h1-11,13H,12H2
Definition date:	2013-04-08
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one

1O0

1O0
Name:	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one
Formula:	C27 H15 F6 N3 O2
SMILES:	FC(F)(F)c5c(c1ncccc1)cccc5Oc4ccc2c(C(=O)N=CN2Cc3c(F)cc(F)cc3F)c4
InChi:	InChI=1S/C27H15F6N3O2/c28-15-10-20(29)19(21(30)11-15)13-36-14-35-26(37)18-12-16(7-8-23(18)36)38-24-6-3-4-17(25(24)27(31,32)33)22-5-1-2-9-34-22/h1-12,14H,13H2
Definition date:	2013-04-08
Last modified:	2013-06-28
Release date:	2013-07-03
Identifier:	6-[3-(pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one

SR7

SR7
Name:	N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide
Formula:	C25 H23 N7 O S
SMILES:	O=C(c1nc2c(nc1)cccc2)Nc6c(c3nc4scc(n4c3)CN5CCNCC5)cccc6
InChi:	InChI=1S/C25H23N7OS/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31/h1-8,13,15-16,26H,9-12,14H2,(H,29,33)
Definition date:	2013-05-14
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}quinoxaline-2-carboxamide

ODH

ODH
Name:	N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
Formula:	C14 H11 N3 O2
SMILES:	O=C(NCc1occc1)c3cc2nccnc2cc3
InChi:	InChI=1S/C14H11N3O2/c18-14(17-9-11-2-1-7-19-11)10-3-4-12-13(8-10)16-6-5-15-12/h1-8H,9H2,(H,17,18)
Definition date:	2012-10-08
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	N-(furan-2-ylmethyl)quinoxaline-6-carboxamide

AJ4

AJ4
Name:	7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one
Formula:	C16 H12 F N O
SMILES:	Fc3ccccc3c1ccc2c(c1)NC(=O)C=C2C
InChi:	InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
Definition date:	2013-01-29
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one

AJ5

AJ5
Name:	3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide
Formula:	C20 H19 Cl N2 O3
SMILES:	O=C(NCCOC)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChi:	InChI=1S/C20H19ClN2O3/c1-12-9-19(24)23-18-11-13(3-5-15(12)18)16-6-4-14(10-17(16)21)20(25)22-7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
Definition date:	2013-02-12
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-chloro-N-(2-methoxyethyl)-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzamide

AJ6

AJ6
Name:	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Formula:	C16 H13 Cl N2 O
SMILES:	Clc3cc(N)ccc3c1ccc2c(c1)NC(=O)C=C2C
InChi:	InChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20)
Definition date:	2013-02-22
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one

AJ7

AJ7
Name:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide
Formula:	C23 H24 Cl N3 O3
SMILES:	O=C2C=C(c1ccc(cc1N2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4)C
InChi:	InChI=1S/C23H24ClN3O3/c1-15-12-22(28)26-21-14-16(2-4-18(15)21)19-5-3-17(13-20(19)24)23(29)25-6-7-27-8-10-30-11-9-27/h2-5,12-14H,6-11H2,1H3,(H,25,29)(H,26,28)
Definition date:	2013-02-22
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide

AJ8

AJ8
Name:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid
Formula:	C17 H12 Cl N O3
SMILES:	O=C(O)c3ccc(c1ccc2c(c1)NC(=O)C=C2C)c(Cl)c3
InChi:	InChI=1S/C17H12ClNO3/c1-9-6-16(20)19-15-8-10(2-4-12(9)15)13-5-3-11(17(21)22)7-14(13)18/h2-8H,1H3,(H,19,20)(H,21,22)
Definition date:	2013-02-22
Last modified:	2013-06-21
Release date:	2013-06-26
Identifier:	3-chloro-4-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)benzoic acid

5ME

5ME
Name:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide
Formula:	C18 H18 N4 O2
SMILES:	O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:	InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m1/s1
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1R)-1-(pyridin-2-yl)ethyl]propanamide

1RD

1RD
Name:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide
Formula:	C23 H36 N6 O4 S2
SMILES:	O=C(OCc1scnc1)NCCCCNC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C
InChi:	InChI=1S/C23H36N6O4S2/c1-15(2)19(28-22(31)29(5)11-17-13-34-21(27-17)16(3)4)20(30)25-8-6-7-9-26-23(32)33-12-18-10-24-14-35-18/h10,13-16,19H,6-9,11-12H2,1-5H3,(H,25,30)(H,26,32)(H,28,31)/t19-/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-(4-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}butyl)-L-valinamide

MEJ

MEJ
Name:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Formula:	C19 H19 N3 O2
SMILES:	O=C(NC(c1ccccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:	InChI=1S/C19H19N3O2/c1-13(14-7-3-2-4-8-14)20-18(23)12-11-17-21-16-10-6-5-9-15(16)19(24)22-17/h2-10,13H,11-12H2,1H3,(H,20,23)(H,21,22,24)/t13-/m0/s1
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

MEW

MEW
Name:	2-methylquinazolin-4(3H)-one
Formula:	C9 H8 N2 O
SMILES:	O=C1c2ccccc2N=C(N1)C
InChi:	InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	2-methylquinazolin-4(3H)-one

7AW

7AW
Name:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide
Formula:	C33 H48 N6 O4 S2
SMILES:	O=C(OCc1scnc1)NC(CCC)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)Cc3ccccc3
InChi:	InChI=1S/C33H48N6O4S2/c1-7-11-25(37-33(42)43-19-28-17-34-21-45-28)14-15-26(16-24-12-9-8-10-13-24)35-30(40)29(22(2)3)38-32(41)39(6)18-27-20-44-31(36-27)23(4)5/h8-10,12-13,17,20-23,25-26,29H,7,11,14-16,18-19H2,1-6H3,(H,35,40)(H,37,42)(H,38,41)/t25-,26+,29-/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5S)-1-phenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}octan-2-yl]-L-valinamide

5AW

5AW
Name:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide
Formula:	C25 H40 N6 O4 S2
SMILES:	O=C(OCc1scnc1)NC(C)CCC(NC(=O)C(NC(=O)N(Cc2nc(sc2)C(C)C)C)C(C)C)C
InChi:	InChI=1S/C25H40N6O4S2/c1-15(2)21(30-24(33)31(7)11-19-13-36-23(29-19)16(3)4)22(32)27-17(5)8-9-18(6)28-25(34)35-12-20-10-26-14-37-20/h10,13-18,21H,8-9,11-12H2,1-7H3,(H,27,32)(H,28,34)(H,30,33)/t17-,18-,21+/m0/s1
Definition date:	2013-05-06
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide

8ME

8ME
Name:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide
Formula:	C18 H18 N4 O2
SMILES:	O=C(NC(c1ncccc1)C)CCC3=Nc2c(cccc2)C(=O)N3
InChi:	InChI=1S/C18H18N4O2/c1-12(14-7-4-5-11-19-14)20-17(23)10-9-16-21-15-8-3-2-6-13(15)18(24)22-16/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,22,24)/t12-/m0/s1
Definition date:	2012-09-19
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[(1S)-1-(pyridin-2-yl)ethyl]propanamide

FNT

FNT
Name:	(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid
Formula:	C13 H11 Cl N2 O4
SMILES:	[O-]C(=O)C(NC(=O)c1nc(Cl)c2c(c1O)cccc2)C
InChi:	InChI=1S/C13H11ClN2O4/c1-6(13(19)20)15-12(18)9-10(17)7-4-2-3-5-8(7)11(14)16-9/h2-6,17H,1H3,(H,15,18)(H,19,20)/p-1/t6-/m0/s1
Definition date:	2013-06-04
Last modified:	2013-06-14
Release date:	2013-06-19
Identifier:	(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoate

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223532

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