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3E0

3E0
Name:	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
Formula:	C14 H15 F N2 O2 S
SMILES:	Fc3cccc(c1nc(sc1)N2CCOCC2)c3OC
InChi:	InChI=1S/C14H15FN2O2S/c1-18-13-10(3-2-4-11(13)15)12-9-20-14(16-12)17-5-7-19-8-6-17/h2-4,9H,5-8H2,1H3
Definition date:	2014-07-29
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

NGJ

NGJ
Name:	5-amino-3-ethylisoquinolin-1(2H)-one
Formula:	C11 H12 N2 O
SMILES:	O=C1c2cccc(c2C=C(N1)CC)N
InChi:	InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14)
Definition date:	2014-08-07
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-amino-3-ethylisoquinolin-1(2H)-one

NKI

NKI
Name:	(2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one
Formula:	C14 H11 Cl N2 O
SMILES:	Clc1ccc(cc1)[CH]2NC(=O)c3ccccc3N2
InChi:	InChI=1S/C14H11ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8,13,16H,(H,17,18)/t13-/m0/s1
Definition date:	2015-03-05
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	(2S)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one

JL9

JL9
Name:	2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
Formula:	C18 H23 N5 O
SMILES:	O=C1NC(=NC2=C1CCCC2)N3CCN(CC3)Cc4ccncc4
InChi:	InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)
Definition date:	2015-03-06
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

NYJ

NYJ
Name:	4,5-dimethyl-3-phenylisoquinolin-1(2H)-one
Formula:	C17 H15 N O
SMILES:	O=C2c3cccc(c3C(=C(c1ccccc1)N2)C)C
InChi:	InChI=1S/C17H15NO/c1-11-7-6-10-14-15(11)12(2)16(18-17(14)19)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,18,19)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	4,5-dimethyl-3-phenylisoquinolin-1(2H)-one

R4E

R4E
Name:	5-amino-3-pentylisoquinolin-1(2H)-one
Formula:	C14 H18 N2 O
SMILES:	O=C1c2cccc(c2C=C(N1)CCCCC)N
InChi:	InChI=1S/C14H18N2O/c1-2-3-4-6-10-9-12-11(14(17)16-10)7-5-8-13(12)15/h5,7-9H,2-4,6,15H2,1H3,(H,16,17)
Definition date:	2014-08-08
Last modified:	2015-07-24
Release date:	2015-07-29
Identifier:	5-amino-3-pentylisoquinolin-1(2H)-one

J5I

J5I
Name:	3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE
Formula:	C10 H9 N O
SMILES:	CC1=Cc2ccccc2NC1=O
InChi:	InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
Definition date:	2015-06-20
Last modified:	2015-07-17
Release date:	2015-07-22
Identifier:	3-methyl-1H-quinolin-2-one

JTF

JTF
Name:	8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one
Formula:	C14 H19 N3 O
SMILES:	CN(C)CCNc1cccc2C=C(C)C(=O)Nc12
InChi:	InChI=1S/C14H19N3O/c1-10-9-11-5-4-6-12(13(11)16-14(10)18)15-7-8-17(2)3/h4-6,9,15H,7-8H2,1-3H3,(H,16,18)
Definition date:	2015-06-20
Last modified:	2015-07-17
Release date:	2015-07-22
Identifier:	8-[2-(dimethylamino)ethylamino]-3-methyl-1H-quinolin-2-one

4SS

4SS
Name:	(S)-2-(2-((2H-tetrazol-5-yl)methoxy)-4-methylphenyl)-1-(4-chlorophenyl)-6,7-diethoxy-1,2-dihydroisoquinolin-3(4H)-one
Formula:	C28 H28 Cl N5 O4
SMILES:	c5(ccc(C3N(c1c(cc(C)cc1)OCc2nnnn2)C(=O)Cc4c3cc(c(c4)OCC)OCC)cc5)Cl
InChi:	InChI=1S/C28H28ClN5O4/c1-4-36-24-13-19-14-27(35)34(22-11-6-17(3)12-23(22)38-16-26-30-32-33-31-26)28(18-7-9-20(29)10-8-18)21(19)15-25(24)37-5-2/h6-13,15,28H,4-5,14,16H2,1-3H3,(H,30,31,32,33)/t28-/m0/s1
Definition date:	2015-05-21
Last modified:	2015-07-17
Release date:	2015-07-22
Identifier:	(1S)-1-(4-chlorophenyl)-6,7-diethoxy-2-[4-methyl-2-(1H-tetrazol-5-ylmethoxy)phenyl]-1,4-dihydroisoquinolin-3(2H)-one

4T0

4T0
Name:	N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide
Formula:	C32 H35 N5 O4 S
SMILES:	c1(cc2ccnc(c2cc1)N)NC(C(N4CCCC4c3cc(NC(C)=O)ccc3S(=O)(=O)C(C)C)=O)c5ccccc5
InChi:	InChI=1S/C32H35N5O4S/c1-20(2)42(40,41)29-14-12-25(35-21(3)38)19-27(29)28-10-7-17-37(28)32(39)30(22-8-5-4-6-9-22)36-24-11-13-26-23(18-24)15-16-34-31(26)33/h4-6,8-9,11-16,18-20,28,30,36H,7,10,17H2,1-3H3,(H2,33,34)(H,35,38)/t28-,30-/m1/s1
Definition date:	2015-05-21
Last modified:	2015-07-17
Release date:	2015-07-22
Identifier:	N-{3-[(2R)-1-{(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-phenylacetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}acetamide

4T1

4T1
Name:	(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
Formula:	C28 H27 N5 O2
SMILES:	C1(c3ccc(CCCC(Nc2cccc(CNC1=O)c2)=O)cc3)Nc5ccc4c(nccc4c5)N
InChi:	InChI=1S/C28H27N5O2/c29-27-24-12-11-23(16-21(24)13-14-30-27)33-26-20-9-7-18(8-10-20)3-2-6-25(34)32-22-5-1-4-19(15-22)17-31-28(26)35/h1,4-5,7-16,26,33H,2-3,6,17H2,(H2,29,30)(H,31,35)(H,32,34)/t26-/m1/s1
Definition date:	2015-05-21
Last modified:	2015-07-17
Release date:	2015-07-22
Identifier:	(2R)-2-[(1-aminoisoquinolin-6-yl)amino]-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione

3CQ

3CQ
Name:	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid
Formula:	C35 H32 F N5 O4 S2
SMILES:	O=C(O)c1nc(sc1CCCOc2ccc(C#CCN(C)C)cc2F)N4CCc3cccc(c3C4)C(=O)Nc5nc6ccccc6s5
InChi:	InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
Definition date:	2014-07-29
Last modified:	2015-07-17
Release date:	2015-07-22
Identifier:	2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-5-(3-{4-[3-(dimethylamino)prop-1-yn-1-yl]-2-fluorophenoxy}propyl)-1,3-thiazole-4-carboxylic acid

4PK

4PK
Name:	N-[(benzyloxy)carbonyl]-O-carbamimidamido-L-homoseryl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-L-valinamide
Formula:	C34 H51 N7 O7
SMILES:	c2c(COC(=O)NC(C(NC(C(C)C)C(=O)NC(C(O)CC(=O)NCCc1ccccc1)CC(C)C)=O)CCONC(=N)N)cccc2
InChi:	InChI=1S/C34H51N7O7/c1-22(2)19-27(28(42)20-29(43)37-17-15-24-11-7-5-8-12-24)38-32(45)30(23(3)4)40-31(44)26(16-18-48-41-33(35)36)39-34(46)47-21-25-13-9-6-10-14-25/h5-14,22-23,26-28,30,42H,15-21H2,1-4H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)(H4,35,36,41)/t26-,27-,28-,30-/m0/s1
Definition date:	2015-05-01
Last modified:	2015-07-10
Release date:	2015-07-15
Identifier:	N-[(benzyloxy)carbonyl]-O-carbamimidamido-L-homoseryl-N-{(3S,4S)-3-hydroxy-6-methyl-1-oxo-1-[(2-phenylethyl)amino]heptan-4-yl}-L-valinamide

T40

T40
Name:	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one
Formula:	C21 H23 N3 O
SMILES:	O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCNCC3)C
InChi:	InChI=1S/C21H23N3O/c1-15-3-2-4-18-19(15)13-20(23-21(18)25)17-7-5-16(6-8-17)14-24-11-9-22-10-12-24/h2-8,13,22H,9-12,14H2,1H3,(H,23,25)
Definition date:	2014-07-28
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	5-methyl-3-[4-(piperazin-1-ylmethyl)phenyl]isoquinolin-1(2H)-one

92R

92R
Name:	3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one
Formula:	C19 H20 N2 O2
SMILES:	O=C2c3cccc(OC)c3C=C(c1ccc(cc1)CN(C)C)N2
InChi:	InChI=1S/C19H20N2O2/c1-21(2)12-13-7-9-14(10-8-13)17-11-16-15(19(22)20-17)5-4-6-18(16)23-3/h4-11H,12H2,1-3H3,(H,20,22)
Definition date:	2014-08-08
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	3-{4-[(dimethylamino)methyl]phenyl}-5-methoxyisoquinolin-1(2H)-one

40N

40N
Name:	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one
Formula:	C16 H10 F N O3
SMILES:	Fc4ccccc4C=3Nc2cc1OCOc1cc2C(=O)C=3
InChi:	InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
Definition date:	2015-01-05
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one

40V

40V
Name:	N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide
Formula:	C28 H32 N4 O5
SMILES:	[O-][N+](=O)c1cc(c(O)c2ncccc12)C(=O)N(CCOC)CC5CCCN(C4Cc3ccccc3C4)C5
InChi:	InChI=1S/C28H32N4O5/c1-37-13-12-31(28(34)24-16-25(32(35)36)23-9-4-10-29-26(23)27(24)33)18-19-6-5-11-30(17-19)22-14-20-7-2-3-8-21(20)15-22/h2-4,7-10,16,19,22,33H,5-6,11-15,17-18H2,1H3/t19-/m1/s1
Definition date:	2015-01-08
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	N-{[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

3DN

3DN
Name:	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one
Formula:	C24 H29 N3 O
SMILES:	O=C1c4cccc(c4C=C(N1)c2ccc(cc2)CN3CCC(N(C)C)CC3)C
InChi:	InChI=1S/C24H29N3O/c1-17-5-4-6-21-22(17)15-23(25-24(21)28)19-9-7-18(8-10-19)16-27-13-11-20(12-14-27)26(2)3/h4-10,15,20H,11-14,16H2,1-3H3,(H,25,28)
Definition date:	2014-07-29
Last modified:	2015-07-02
Release date:	2015-07-07
Identifier:	3-(4-{[4-(dimethylamino)piperidin-1-yl]methyl}phenyl)-5-methylisoquinolin-1(2H)-one

XZ8

XZ8
Name:	4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Formula:	C14 H13 N3 O2
SMILES:	O=C(n2cc(C=1C(=O)NNC=1C)c3ccccc23)C
InChi:	InChI=1S/C14H13N3O2/c1-8-13(14(19)16-15-8)11-7-17(9(2)18)12-6-4-3-5-10(11)12/h3-7H,1-2H3,(H2,15,16,19)
Definition date:	2014-06-19
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

34U

34U
Name:	1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine
Formula:	C24 H27 N5 O2
SMILES:	O(C)CCOc1cc2ncn(c2cc1)c4nc3c(cccc3cc4)N5CCC(N)CC5
InChi:	InChI=1S/C24H27N5O2/c1-30-13-14-31-19-6-7-21-20(15-19)26-16-29(21)23-8-5-17-3-2-4-22(24(17)27-23)28-11-9-18(25)10-12-28/h2-8,15-16,18H,9-14,25H2,1H3
Definition date:	2014-06-17
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	1-{2-[5-(2-methoxyethoxy)-1H-benzimidazol-1-yl]quinolin-8-yl}piperidin-4-amine

35R

35R
Name:	1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea
Formula:	C19 H23 N7 O2
SMILES:	O=C(NC1CC1)Nc2cnnc2c3nc4cc(ccc4n3)CN5CCOCC5
InChi:	InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)
Definition date:	2014-06-20
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	1-cyclopropyl-3-{3-[5-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl}urea

4L6

4L6
Name:	4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide
Formula:	C17 H14 N6 O
SMILES:	Cc2cc1cnnc1cc2c3cccc4c3nnc(c4N)C(N)=O
InChi:	InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
Definition date:	2015-04-07
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-amino-8-(5-methyl-1H-indazol-6-yl)cinnoline-3-carboxamide

4RU

4RU
Name:	4-aminocinnoline-3-carboxamide
Formula:	C9 H8 N4 O
SMILES:	NC(c2nnc1ccccc1c2N)=O
InChi:	InChI=1S/C9H8N4O/c10-7-5-3-1-2-4-6(5)12-13-8(7)9(11)14/h1-4H,(H2,10,12)(H2,11,14)
Definition date:	2015-05-15
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-aminocinnoline-3-carboxamide

4RV

4RV
Name:	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide
Formula:	C15 H13 N5 O
SMILES:	c3ncc(c2c1c(c(N)c(C(=O)N)nn1)ccc2)c(C)c3
InChi:	InChI=1S/C15H13N5O/c1-8-5-6-18-7-11(8)9-3-2-4-10-12(16)14(15(17)21)20-19-13(9)10/h2-7H,1H3,(H2,16,19)(H2,17,21)
Definition date:	2015-05-15
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide

PX9

PX9
Name:	Pramocaine
Formula:	C17 H27 N O3
SMILES:	O(c2ccc(OCCCN1CCOCC1)cc2)CCCC
InChi:	InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
Definition date:	2015-02-06
Last modified:	2015-06-26
Release date:	2015-07-01
Identifier:	4-[3-(4-butoxyphenoxy)propyl]morpholine

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