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LM0

LM0
Name:	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
Formula:	C14 H17 N3 O3
SMILES:	CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O
InChi:	InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

3PX

3PX
Name:	(3S)-3-(propan-2-yloxy)-L-proline
Formula:	C8 H15 N O3
SMILES:	O=C(O)C1NCCC1OC(C)C
InChi:	InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1
Definition date:	2011-04-26
Last modified:	2023-11-03
Identifier:	(3S)-3-(propan-2-yloxy)-L-proline

LQ0

LQ0
Name:	2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C16 H14 Cl N3 O
SMILES:	Cc1ccncc1NC(=O)Cn1ccc2ccc(Cl)cc21
InChi:	InChI=1S/C16H14ClN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide

LQU

LQU
Name:	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile
Formula:	C18 H16 N2 O
SMILES:	N#Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H16N2O/c1-13(21)20-11-16-6-2-3-8-17(16)18(12-20)15-7-4-5-14(9-15)10-19/h2-9,18H,11-12H2,1H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile

LS0

LS0
Name:	2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
Formula:	C16 H14 F N3 O
SMILES:	Cc1ccncc1NC(=O)Cn1ccc2ccc(F)cc21
InChi:	InChI=1S/C16H14FN3O/c1-11-4-6-18-9-14(11)19-16(21)10-20-7-5-12-2-3-13(17)8-15(12)20/h2-9H,10H2,1H3,(H,19,21)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide

3V8

3V8
Name:	(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline
Formula:	C10 H14 N4 O4
SMILES:	O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2
InChi:	InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1
Definition date:	2014-11-12
Last modified:	2023-11-03
Release date:	2015-03-04
Identifier:	(4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline

L1F

L1F
Name:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21
InChi:	InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

L8O

L8O
Name:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Formula:	C18 H19 N O
SMILES:	Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O
InChi:	InChI=1S/C18H19NO/c1-13-6-5-8-15(10-13)18-12-19(14(2)20)11-16-7-3-4-9-17(16)18/h3-10,18H,11-12H2,1-2H3/t18-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one

L93

L93
Name:	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H19 F N2 O4
SMILES:	COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
InChi:	InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
Definition date:	2023-08-15
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

LAV

LAV
Name:	N-[(2S)-2-amino-4-methylpentyl]-L-valine
Formula:	C11 H24 N2 O2
SMILES:	O=C(O)C(NCC(N)CC(C)C)C(C)C
InChi:	InChI=1S/C11H24N2O2/c1-7(2)5-9(12)6-13-10(8(3)4)11(14)15/h7-10,13H,5-6,12H2,1-4H3,(H,14,15)/t9-,10-/m0/s1
Definition date:	2010-10-28
Last modified:	2023-11-03
Identifier:	N-[(2S)-2-amino-4-methylpentyl]-L-valine

0Y8

0Y8
Name:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline
Formula:	C14 H13 Br N2 O3
SMILES:	O=C(O)C3NCC(Oc1nccc2c1cc(Br)cc2)C3
InChi:	InChI=1S/C14H13BrN2O3/c15-9-2-1-8-3-4-16-13(11(8)5-9)20-10-6-12(14(18)19)17-7-10/h1-5,10,12,17H,6-7H2,(H,18,19)/t10-,12+/m1/s1
Definition date:	2012-09-12
Last modified:	2023-11-03
Release date:	2012-12-07
Identifier:	(4R)-4-[(7-bromoisoquinolin-1-yl)oxy]-L-proline

11Q

11Q
Name:	1-(cyclohexylmethyl)-L-proline
Formula:	C12 H21 N O2
SMILES:	O=C(O)C2N(CC1CCCCC1)CCC2
InChi:	InChI=1S/C12H21NO2/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10/h10-11H,1-9H2,(H,14,15)/t11-/m0/s1
Definition date:	2012-09-29
Last modified:	2023-11-03
Release date:	2013-04-03
Identifier:	1-(cyclohexylmethyl)-L-proline

KFU

KFU
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:	C18 H13 Cl N2 O2
SMILES:	Clc1cc2c(cc1)OCC2C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C18H13ClN2O2/c19-12-5-6-17-14(7-12)15(10-23-17)18(22)21-16-9-20-8-11-3-1-2-4-13(11)16/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide

KG9

KG9
Name:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:	C24 H21 Cl N4 O3 S
SMILES:	N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:	2023-08-11
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

KJI

KJI
Name:	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide
Formula:	C17 H16 N4 O
SMILES:	O=C(Nc1cnccc1C)CNc1ccnc2ccccc21
InChi:	InChI=1S/C17H16N4O/c1-12-6-8-18-10-16(12)21-17(22)11-20-15-7-9-19-14-5-3-2-4-13(14)15/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide

KL6

KL6
Name:	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
Formula:	C12 H19 N3 O4 S2
SMILES:	NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O)c2c1
InChi:	InChI=1S/C12H19N3O4S2/c1-20(16,17)14-6-8-15-7-2-3-10-4-5-11(9-12(10)15)21(13,18)19/h4-5,9,14H,2-3,6-8H2,1H3,(H2,13,18,19)
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide

KLR

KLR
Name:	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
Formula:	C20 H24 N4 O
SMILES:	CC(C)(C)NC(=O)C(Nc1ccc(CCC#N)cc1)c1cccnc1
InChi:	InChI=1S/C20H24N4O/c1-20(2,3)24-19(25)18(16-7-5-13-22-14-16)23-17-10-8-15(9-11-17)6-4-12-21/h5,7-11,13-14,18,23H,4,6H2,1-3H3,(H,24,25)/t18-/m0/s1
Definition date:	2023-08-14
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide

EXL

EXL
Name:	1-Methyl-L-tryptophan
Formula:	C12 H14 N2 O2
SMILES:	Cn1cc(C[CH](N)C(O)=O)c2ccccc12
InChi:	InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
Synonyms:	(2S)-2-azanyl-3-(1-methylindol-3-yl)propanoic acid
Definition date:	2020-02-14
Last modified:	2023-11-03
Release date:	2020-07-08
Identifier:	(2~{S})-2-azanyl-3-(1-methylindol-3-yl)propanoic acid

HQA

HQA
Name:	3-(8-hydroxyquinolin-3-yl)-L-alanine
Formula:	C12 H12 N2 O3
SMILES:	O=C(O)C(N)Cc1cc2cccc(O)c2nc1
InChi:	InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-4-8-2-1-3-10(15)11(8)14-6-7/h1-4,6,9,15H,5,13H2,(H,16,17)/t9-/m0/s1
Definition date:	2008-12-10
Last modified:	2023-11-03
Identifier:	3-(8-hydroxyquinolin-3-yl)-L-alanine

N3R

N3R
Name:	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C19 H17 F N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21
InChi:	InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

N43

N43
Name:	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O5
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(OC)c12
InChi:	InChI=1S/C20H20N2O5/c1-25-15-7-3-4-8-16(15)27-11-10-21-20(24)13-12-18(23)22-14-6-5-9-17(26-2)19(13)14/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

N4L

N4L
Name:	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:	C20 H20 N2 O4
SMILES:	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(C)c21
InChi:	InChI=1S/C20H20N2O4/c1-13-6-5-7-15-19(13)14(12-18(23)22-15)20(24)21-10-11-26-17-9-4-3-8-16(17)25-2/h3-9,12H,10-11H2,1-2H3,(H,21,24)(H,22,23)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

N9I

N9I
Name:	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
Formula:	C17 H19 N3 O
SMILES:	Cc1ccncc1CC(=O)Nc1cccc2CCNCc21
InChi:	InChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

NB0

NB0
Name:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
Formula:	C20 H18 F N3 O2
SMILES:	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F
InChi:	InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)
Definition date:	2023-08-16
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one

4KY

4KY
Name:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline
Formula:	C15 H25 N O4
SMILES:	C(=C)CCCCCCOC1CC(C(=O)O)N(C1)C(C)=O
InChi:	InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-9-20-13-10-14(15(18)19)16(11-13)12(2)17/h3,13-14H,1,4-11H2,2H3,(H,18,19)/t13-,14+/m1/s1
Definition date:	2015-04-01
Last modified:	2023-11-03
Release date:	2015-07-29
Identifier:	(4R)-1-acetyl-4-(oct-7-en-1-yloxy)-L-proline

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