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4WT

4WT
Name:	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
Formula:	C11 H15 N
SMILES:	C2NCc1ccccc1C2(C)C
InChi:	InChI=1S/C11H15N/c1-11(2)8-12-7-9-5-3-4-6-10(9)11/h3-6,12H,7-8H2,1-2H3
Definition date:	2015-06-15
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

4WU

4WU
Name:	1,2,3,4-tetrahydroisoquinolin-8-amine
Formula:	C9 H12 N2
SMILES:	C1CNCc2c1cccc2N
InChi:	InChI=1S/C9H12N2/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6,10H2
Definition date:	2015-06-15
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	1,2,3,4-tetrahydroisoquinolin-8-amine

4X1

4X1
Name:	3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine
Formula:	C12 H18 N2
SMILES:	C1N(Cc2c(C1)cccc2)CCCN
InChi:	InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2
Definition date:	2015-06-16
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-amine

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

4XP

4XP
Name:	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)
Formula:	C9 H14 N6
SMILES:	C(Cc1nnn(C)c1)Cc2nnn(c2)C
InChi:	InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3
Definition date:	2015-06-18
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole)

4XQ

4XQ
Name:	4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)
Formula:	C15 H26 N6
SMILES:	C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C
InChi:	InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3
Definition date:	2015-06-18
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole)

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

FC4

FC4
Name:	(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
Formula:	C20 H16 Cl N5 O4 S2
SMILES:	c1cc(Cl)ccc1C2=C(C(=O)NC(=N2)SC(C)C(=O)Nc3ccc(cc3)S(=O)(=O)N)C#N
InChi:	InChI=1S/C20H16ClN5O4S2/c1-11(18(27)24-14-6-8-15(9-7-14)32(23,29)30)31-20-25-17(16(10-22)19(28)26-20)12-2-4-13(21)5-3-12/h2-9,11H,1H3,(H,24,27)(H2,23,29,30)(H,25,26,28)/t11-/m1/s1
Definition date:	2016-04-11
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

IB1

IB1
Name:	4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile
Formula:	C19 H12 F2 N4 O2
SMILES:	c1cnc(nc1C(=O)c2c(F)cc(cc2F)OC)Nc3ccc(cc3)C#N
InChi:	InChI=1S/C19H12F2N4O2/c1-27-13-8-14(20)17(15(21)9-13)18(26)16-6-7-23-19(25-16)24-12-4-2-11(10-22)3-5-12/h2-9H,1H3,(H,23,24,25)
Definition date:	2016-05-18
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile

4E4

4E4
Name:	2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide
Formula:	C13 H20 N2 O2
SMILES:	C(C)C(CO)(C(=O)Nc1cnc(C)cc1)CC
InChi:	InChI=1S/C13H20N2O2/c1-4-13(5-2,9-16)12(17)15-11-7-6-10(3)14-8-11/h6-8,16H,4-5,9H2,1-3H3,(H,15,17)
Definition date:	2015-03-06
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide

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

5WJ

5WJ
Name:	~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
Formula:	C23 H26 N4 O5 S
SMILES:	COc1ccc(cc1NC(=O)CC2=NNC(=O)c3ccccc23)[S](=O)(=O)N4CCCCCC4
InChi:	InChI=1S/C23H26N4O5S/c1-32-21-11-10-16(33(30,31)27-12-6-2-3-7-13-27)14-20(21)24-22(28)15-19-17-8-4-5-9-18(17)23(29)26-25-19/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)(H,26,29)
Definition date:	2015-12-15
Last modified:	2016-06-17
Release date:	2016-06-22
Identifier:	~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide

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

KOH

KOH
Name:	3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid
Formula:	C12 H11 Cl N2 O3
SMILES:	OC(=O)CCOc1ccc(cc1Cl)c2[nH]ccn2
InChi:	InChI=1S/C12H11ClN2O3/c13-9-7-8(12-14-4-5-15-12)1-2-10(9)18-6-3-11(16)17/h1-2,4-5,7H,3,6H2,(H,14,15)(H,16,17)
Definition date:	2016-06-09
Last modified:	2016-06-17
Release date:	2016-06-22
Identifier:	3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid

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

L19

L19
Name:	3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid
Formula:	C26 H24 N2 O3
SMILES:	O=C(O)CCn1c5c(c(c1c2ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5
InChi:	InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
Definition date:	2015-08-12
Last modified:	2016-06-17
Release date:	2016-06-22
Identifier:	3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid

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