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4X3
4X3
Name:2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:C11 H16 N2
SMILES:C1N(Cc2c(C1)c(N)ccc2)CC
InChi:InChI=1S/C11H16N2/c1-2-13-7-6-10-9(8-13)4-3-5-11(10)12/h3-5H,2,6-8,12H2,1H3
Definition date:2015-06-16
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-ethyl-1,2,3,4-tetrahydroisoquinolin-5-amine
4X6
4X6
Name:2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:C10 H14 N2
SMILES:C1N(Cc2c(C1)c(N)ccc2)C
InChi:InChI=1S/C10H14N2/c1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-4H,5-7,11H2,1H3
Definition date:2015-06-16
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
4X8
4X8
Name:2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:C16 H20 N4
SMILES:C1N(Cc2c(C1)cccc2N)Cc3c(c(ccn3)N)C
InChi:InChI=1S/C16H20N4/c1-11-14(17)5-7-19-16(11)10-20-8-6-12-3-2-4-15(18)13(12)9-20/h2-5,7H,6,8-10,18H2,1H3,(H2,17,19)
Definition date:2015-06-16
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-[(4-amino-3-methylpyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
4XC
4XC
Name:3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide
Formula:C13 H19 N3 O
SMILES:C1N(Cc2c(C1)cccc2N)CCC(NC)=O
InChi:InChI=1S/C13H19N3O/c1-15-13(17)6-8-16-7-5-10-3-2-4-12(14)11(10)9-16/h2-4H,5-9,14H2,1H3,(H,15,17)
Definition date:2015-06-16
Last modified:2016-06-24
Release date:2016-06-29
Identifier:3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)-N-methylpropanamide
4XD
4XD
Name:2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:C12 H18 N2 O
SMILES:C1N(Cc2c(C1)cccc2N)CCOC
InChi:InChI=1S/C12H18N2O/c1-15-8-7-14-6-5-10-3-2-4-12(13)11(10)9-14/h2-4H,5-9,13H2,1H3
Definition date:2015-06-16
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
4XG
4XG
Name:2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:C14 H23 N3
SMILES:C1N(Cc2c(C1)cccc2N)CCCN(C)C
InChi:InChI=1S/C14H23N3/c1-16(2)8-4-9-17-10-7-12-5-3-6-14(15)13(12)11-17/h3,5-6H,4,7-11,15H2,1-2H3
Definition date:2015-06-17
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
4XJ
4XJ
Name:2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:C14 H22 N2 O2
SMILES:COCC(N2CCc1cccc(c1C2)N)COC
InChi:InChI=1S/C14H22N2O2/c1-17-9-12(10-18-2)16-7-6-11-4-3-5-14(15)13(11)8-16/h3-5,12H,6-10,15H2,1-2H3
Definition date:2015-06-17
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-(1,3-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-8-amine
4XK
4XK
Name:2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
Formula:C17 H26 N2 O2
SMILES:C1N(Cc2c(C1)c(N)ccc2)CCCOC3CCOCC3
InChi:InChI=1S/C17H26N2O2/c18-17-4-1-3-14-13-19(9-5-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2
Definition date:2015-06-17
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-5-amine
4XL
4XL
Name:2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:C16 H25 N3 O
SMILES:C1N(Cc2c(C1)cccc2N)CCCN3CCOCC3
InChi:InChI=1S/C16H25N3O/c17-16-4-1-3-14-5-8-19(13-15(14)16)7-2-6-18-9-11-20-12-10-18/h1,3-4H,2,5-13,17H2
Definition date:2015-06-17
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-[3-(morpholin-4-yl)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
4XM
4XM
Name:2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:C17 H26 N2 O2
SMILES:C1N(Cc2c(C1)cccc2N)CCCOC3CCOCC3
InChi:InChI=1S/C17H26N2O2/c18-17-4-1-3-14-5-9-19(13-16(14)17)8-2-10-21-15-6-11-20-12-7-15/h1,3-4,15H,2,5-13,18H2
Definition date:2015-06-17
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-[3-(tetrahydro-2H-pyran-4-yloxy)propyl]-1,2,3,4-tetrahydroisoquinolin-8-amine
4Z2
4Z2
Name:2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide
Formula:C22 H28 N4 O2
SMILES:C1CCC1Nc2nccc(c2)C(NCC(O)CN3Cc4c(CC3)cccc4)=O
InChi:InChI=1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(H,23,25)(H,24,28)/t20-/m0/s1
Definition date:2015-06-29
Last modified:2016-06-24
Release date:2016-06-29
Identifier:2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]pyridine-4-carboxamide
65V
65V
Name:3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid
Formula:C24 H15 F N4 O4
SMILES:c5(n4cc(c1nc2c(cc1)c(ccc2)Oc3cc(ccc3)C(=O)O)nn4)cc(c(cc5)O)F
InChi:InChI=1S/C24H15FN4O4/c25-18-12-15(7-10-22(18)30)29-13-21(27-28-29)20-9-8-17-19(26-20)5-2-6-23(17)33-16-4-1-3-14(11-16)24(31)32/h1-13,30H,(H,31,32)
Definition date:2016-02-01
Last modified:2016-06-24
Release date:2016-06-29
Identifier:3-({2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]quinolin-5-yl}oxy)benzoic acid
68N
68N
Name:[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
Formula:C10 H13 N O
SMILES:c1c2c(ccc1)C(NCC2)CO
InChi:InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
Definition date:2016-02-17
Last modified:2016-06-24
Release date:2016-06-29
Identifier:[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
6BT
6BT
Name:[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
Formula:C10 H13 N O
SMILES:C1CNC(CO)c2c1cccc2
InChi:InChI=1S/C10H13NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1
Definition date:2016-03-03
Last modified:2016-06-24
Release date:2016-06-29
Identifier:[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
SDJ
SDJ
Name:(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
Formula:C25 H35 N5 O2
SMILES:O=C(N3C(CNC(C=O)Cc1ncnc1)CC2CCCCC2C3)CCNc4ccccc4
InChi:InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23+,24+/m1/s1
Definition date:2015-07-03
Last modified:2016-06-17
Release date:2016-06-22
Identifier:(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
SLH
SLH
Name:(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
Formula:C25 H35 N5 O2
SMILES:C3C1C(CCCC1)CC(CNC(C=O)Cc2ncnc2)N3C(=O)CCNc4ccccc4
InChi:InChI=1S/C25H35N5O2/c31-17-23(13-22-14-26-18-29-22)28-15-24-12-19-6-4-5-7-20(19)16-30(24)25(32)10-11-27-21-8-2-1-3-9-21/h1-3,8-9,14,17-20,23-24,27-28H,4-7,10-13,15-16H2,(H,26,29)/t19-,20-,23-,24+/m0/s1
Definition date:2015-07-03
Last modified:2016-06-17
Release date:2016-06-22
Identifier:(2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal
K56
K56
Name:3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
Formula:C24 H27 N5 O3
SMILES:COc1cc2ncnc(N3CCC(CC3)CN4Cc5ccccc5NC4=O)c2cc1OC
InChi:InChI=1S/C24H27N5O3/c1-31-21-11-18-20(12-22(21)32-2)25-15-26-23(18)28-9-7-16(8-10-28)13-29-14-17-5-3-4-6-19(17)27-24(29)30/h3-6,11-12,15-16H,7-10,13-14H2,1-2H3,(H,27,30)
Definition date:2015-11-19
Last modified:2016-06-17
Release date:2016-06-22
Identifier:3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one
4XN
4XN
Name:6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
Formula:C28 H29 N5 O2
SMILES:c1c(ccc2n(C)ncc12)c3ccc(cc3)C4=NC7(C(=O)N4CC5CN(CC5)C(=O)C6CC6)CC7
InChi:InChI=1S/C28H29N5O2/c1-31-24-9-8-22(14-23(24)15-29-31)19-2-4-20(5-3-19)25-30-28(11-12-28)27(35)33(25)17-18-10-13-32(16-18)26(34)21-6-7-21/h2-5,8-9,14-15,18,21H,6-7,10-13,16-17H2,1H3/t18-/m1/s1
Definition date:2015-06-17
Last modified:2016-06-17
Release date:2016-06-22
Identifier:6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
57Q
57Q
Name:3-(2-phenyl-1H-indol-1-yl)propanoic acid
Formula:C17 H15 N O2
SMILES:O=C(CCn1c(cc2c1cccc2)c3ccccc3)O
InChi:InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
Definition date:2015-08-12
Last modified:2016-06-17
Release date:2016-06-22
Identifier:3-(2-phenyl-1H-indol-1-yl)propanoic acid
HOV
HOV
Name:ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:C32 H43 N5 O7
SMILES:CCOC(=O)CCC(NC(=O)C1N(CCC1c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O
InChi:InChI=1S/C32H43N5O7/c1-5-43-26(38)12-11-23(18-22-13-15-33-29(22)39)34-31(41)28-24(21-9-7-6-8-10-21)14-16-37(28)32(42)27(19(2)3)35-30(40)25-17-20(4)44-36-25/h6-10,17,19,22-24,27-28H,5,11-16,18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,27-,28-/m0/s1
Definition date:2016-02-25
Last modified:2016-06-17
Release date:2016-06-22
Identifier:N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(3R)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-3-phenyl-L-prolinamide
67O
67O
Name:(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
Formula:C30 H30 F N5 O4
SMILES:C3(N(C)Cc1cc(cc(c1O)F)NC(OCC(C)c2ccc(cc2C)C3Nc4cc5c(cc4)c(ncc5)N)=O)=O
InChi:InChI=1S/C30H30FN5O4/c1-16-10-19-4-6-23(16)17(2)15-40-30(39)35-22-12-20(27(37)25(31)13-22)14-36(3)29(38)26(19)34-21-5-7-24-18(11-21)8-9-33-28(24)32/h4-13,17,26,34,37H,14-15H2,1-3H3,(H2,32,33)(H,35,39)/t17-,26+/m0/s1
Definition date:2016-02-12
Last modified:2016-06-17
Release date:2016-06-22
Identifier:(2R,15R)-2-[(1-aminoisoquinolin-6-yl)amino]-8-fluoro-7-hydroxy-4,15,17-trimethyl-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaene-3,12-dione
6CD
6CD
Name:2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
Formula:C20 H23 N5 O2
SMILES:CC1c4c(C(N1)=O)cc(c2cccc3C(=O)N(C)C(=Nc23)NC(C)(C)C)n4
InChi:InChI=1S/C20H23N5O2/c1-10-15-13(17(26)21-10)9-14(22-15)11-7-6-8-12-16(11)23-19(24-20(2,3)4)25(5)18(12)27/h6-10,22H,1-5H3,(H,21,26)(H,23,24)/t10-/m1/s1
Definition date:2016-03-10
Last modified:2016-06-17
Release date:2016-06-22
Identifier:2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one
5GD
5GD
Name:2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one
Formula:C24 H29 N3 O4
SMILES:c21cc(OC)cc(c1C(NC(=N2)c4cc(C)c(OCCN3CCCC3)c(C)c4)=O)OC
InChi:InChI=1S/C24H29N3O4/c1-15-11-17(12-16(2)22(15)31-10-9-27-7-5-6-8-27)23-25-19-13-18(29-3)14-20(30-4)21(19)24(28)26-23/h11-14H,5-10H2,1-4H3,(H,25,26,28)
Definition date:2015-09-23
Last modified:2016-06-17
Release date:2016-06-22
Identifier:2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one
6OY
6OY
Name:ethyl (4R)-4-[[(2S,4S)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-4-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Formula:C32 H43 N5 O7
SMILES:CCOC(=O)CCC(NC(=O)C1N(CC(C1)c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O
InChi:InChI=1S/C32H43N5O7/c1-5-43-27(38)12-11-24(16-22-13-14-33-29(22)39)34-31(41)26-17-23(21-9-7-6-8-10-21)18-37(26)32(42)28(19(2)3)35-30(40)25-15-20(4)44-36-25/h6-10,15,19,22-24,26,28H,5,11-14,16-18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,26-,28-/m0/s1
Definition date:2016-02-25
Last modified:2016-06-17
Release date:2016-06-22
Identifier:N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(4S)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-phenyl-L-prolinamide
5F6
5F6
Name:(2,6-dichlorophenyl)(quinolin-6-yl)methanone
Formula:C16 H9 Cl2 N O
SMILES:c1(cccc(c1C(c2ccc3c(c2)cccn3)=O)Cl)Cl
InChi:InChI=1S/C16H9Cl2NO/c17-12-4-1-5-13(18)15(12)16(20)11-6-7-14-10(9-11)3-2-8-19-14/h1-9H
Definition date:2015-09-18
Last modified:2016-06-10
Release date:2016-06-15
Identifier:(2,6-dichlorophenyl)(quinolin-6-yl)methanone

222415

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