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4WO

4WO
Name:	methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate
Formula:	C13 H18 N2 O2
SMILES:	C1N(Cc2c(C1)cccc2N)CCC(OC)=O
InChi:	InChI=1S/C13H18N2O2/c1-17-13(16)6-8-15-7-5-10-3-2-4-12(14)11(10)9-15/h2-4H,5-9,14H2,1H3
Definition date:	2015-06-12
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	methyl 3-(8-amino-3,4-dihydroisoquinolin-2(1H)-yl)propanoate

4WP

4WP
Name:	methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate
Formula:	C13 H17 N O2
SMILES:	C1N(Cc2c(C1)cccc2)CCC(=O)OC
InChi:	InChI=1S/C13H17NO2/c1-16-13(15)7-9-14-8-6-11-4-2-3-5-12(11)10-14/h2-5H,6-10H2,1H3
Definition date:	2015-06-12
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	methyl 3-(3,4-dihydroisoquinolin-2(1H)-yl)propanoate

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

6K9

6K9
Name:	(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)
Formula:	C40 H59 N O11
SMILES:	C31C9OC2C1OC5(C2)OC9C4C(O3)CCC(O4)CC(CC8C(CC7C(/C(CC(CCC6C(CC(CC5)O6)=C)O7)C)=C)OC(C8OC)CC(CN)O)=O
InChi:	InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
Definition date:	2016-04-21
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1~3,32~.1~3,33~.1~6,9~.1~12,16~.0~18,22~.0~29,36~.0~31,35~]hentetracontan-24-one (non-preferred name)

6KE

6KE
Name:	(2S)-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:	c1(S(=O)(=O)N)ccc(cc1)NC(=O)C(SC=2NC(=O)C(=C(N=2)c3ccc(cc3)Cl)C#N)C
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-/m0/s1
Definition date:	2016-04-22
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	(2S)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide

6L8

6L8
Name:	(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide
Formula:	C17 H12 F6 N6 O
SMILES:	c3c(cc(c2ncn(CC(C(=O)N)c1cncnc1)n2)cc3C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C17H12F6N6O/c18-16(19,20)11-1-9(2-12(3-11)17(21,22)23)15-27-8-29(28-15)6-13(14(24)30)10-4-25-7-26-5-10/h1-5,7-8,13H,6H2,(H2,24,30)/t13-/m0/s1
Definition date:	2016-04-28
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	(2R)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-2-(pyrimidin-5-yl)propanamide

6S1

6S1
Name:	3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
Formula:	C27 H24 N6
SMILES:	Nc1ncccc1c2nc3ccc(nc3n2c4ccc(cc4)C5(N)CCC5)c6ccccc6
InChi:	InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
Definition date:	2016-06-09
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

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

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

5VN

5VN
Name:	Caulophyllogenin
Formula:	C30 H48 O5
SMILES:	CC1(C)CC[C]2([CH](O)C[C]3(C)C(=CC[CH]4[C]5(C)CC[CH](O)[C](C)(CO)[CH]5CC[C]34C)[CH]2C1)C(O)=O
InChi:	InChI=1S/C30H48O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1
Definition date:	2015-12-09
Last modified:	2016-06-24
Release date:	2016-06-29
Identifier:	(4~{a}~{R},5~{R},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},9~{R},10~{S},12~{a}~{R},14~{b}~{S})-9-(hydroxymethyl)-2,2,6~{a},6~{b},9,12~{a}-hexamethyl-5,10-bis(oxidanyl)-1,3,4,5,6,6~{a},7,8,8~{a},10,11,12,13,14~{b}-tetradecahydropicene-4~{a}-carboxylic acid

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