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DI7

DI7
Name:	2,6-dimethyl-L-tyrosine
Formula:	C11 H15 N O3
SMILES:	O=C(O)C(N)Cc1c(cc(O)cc1C)C
InChi:	InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1
Definition date:	2014-12-10
Last modified:	2023-11-03
Release date:	2015-01-14
Identifier:	2,6-dimethyl-L-tyrosine

DI8

DI8
Name:	(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Formula:	C10 H11 N O2
SMILES:	O=C(O)C2NCc1ccccc1C2
InChi:	InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1
Definition date:	2014-12-10
Last modified:	2023-11-03
Release date:	2015-01-14
Identifier:	(3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

DIB

DIB
Name:	3-AMINO-(DIMETHYLPROPYLAMINE)
Formula:	C5 H14 N2
SMILES:	NCCCN(C)C
InChi:	InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3
Definition date:	2002-08-08
Last modified:	2023-11-03
Identifier:	N,N-dimethylpropane-1,3-diamine

DIL

DIL
Name:	D-ISOLEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)CC
InChi:	InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isoleucine

DIV

DIV
Name:	D-ISOVALINE
Formula:	C5 H11 N O2
SMILES:	O=C(O)C(N)(C)CC
InChi:	InChI=1S/C5H11NO2/c1-3-5(2,6)4(7)8/h3,6H2,1-2H3,(H,7,8)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-isovaline

DIX

DIX
Name:	METHYL(CYCLOPENTYL-PROPYL)AMINE
Formula:	C9 H19 N
SMILES:	N(CCCC1CCCC1)C
InChi:	InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	3-cyclopentyl-N-methylpropan-1-amine

DIY

DIY
Name:	5-BUTYLPIPERIDINE
Formula:	C9 H19 N
SMILES:	N1CCCC(CCCC)C1
InChi:	InChI=1S/C9H19N/c1-2-3-5-9-6-4-7-10-8-9/h9-10H,2-8H2,1H3/t9-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	(3R)-3-butylpiperidine

DJD

DJD
Name:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine
Formula:	C12 H13 N5 O2
SMILES:	NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O
InChi:	InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1
Definition date:	2017-10-26
Last modified:	2023-11-03
Release date:	2019-10-02
Identifier:	4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine

DLE

DLE
Name:	D-LEUCINE
Formula:	C6 H13 N O2
SMILES:	O=C(O)C(N)CC(C)C
InChi:	InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-leucine

DLY

DLY
Name:	D-LYSINE
Formula:	C6 H14 N2 O2
SMILES:	O=C(O)C(N)CCCCN
InChi:	InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	D-lysine

DM0

DM0
Name:	N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine
Formula:	C10 H22 N2 O2
SMILES:	O=C(O)C(N(C)C)CCCCN(C)C
InChi:	InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1
Definition date:	2008-03-25
Last modified:	2023-11-03
Identifier:	N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine

DMG

DMG
Name:	N,N-DIMETHYLGLYCINE
Formula:	C4 H9 N O2
SMILES:	O=C(O)CN(C)C
InChi:	InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
Synonyms:	DIMETHYLGLYCINE
Definition date:	2000-03-20
Last modified:	2023-11-03
Identifier:	N,N-dimethylglycine

DMH

DMH
Name:	N4,N4-DIMETHYL-ASPARAGINE
Formula:	C6 H12 N2 O3
SMILES:	O=C(N(C)C)CC(N)C(=O)O
InChi:	InChI=1S/C6H12N2O3/c1-8(2)5(9)3-4(7)6(10)11/h4H,3,7H2,1-2H3,(H,10,11)/t4-/m0/s1
Definition date:	2001-08-24
Last modified:	2023-11-03
Identifier:	N,N-dimethyl-L-asparagine

DMK

DMK
Name:	3,3-DIMETHYL ASPARTIC ACID
Formula:	C6 H11 N O4
SMILES:	NC(C(C(O)=O)(C)C)C(=O)O
InChi:	InChI=1S/C6H11NO4/c1-6(2,5(10)11)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-/m1/s1
Definition date:	2003-01-30
Last modified:	2023-11-03
Identifier:	3,3-dimethyl-L-aspartic acid

DMT

DMT
Name:	3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID
Formula:	C11 H21 N O3
SMILES:	O=C(O)C(NC)C(O)C(C/C=C/C)(C)C
InChi:	InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid

QR5

QR5
Name:	(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
Formula:	C26 H25 Cl2 N5 O3
SMILES:	Clc1ccc(cc1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C26H25Cl2N5O3/c1-26(17-6-9-20(27)21(28)12-17,24(35)30-22-14-29-13-16-4-2-3-5-19(16)22)31-23(34)15-32-10-11-33(25(32)36)18-7-8-18/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide

QR9

QR9
Name:	(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C28 H27 Cl N4 O4
SMILES:	CC(=O)N1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C28H27ClN4O4/c1-17(34)32-15-21-11-20(32)16-33(21)26(35)12-28(8-9-37-25-7-6-19(29)10-23(25)28)27(36)31-24-14-30-13-18-4-2-3-5-22(18)24/h2-7,10,13-14,20-21H,8-9,11-12,15-16H2,1H3,(H,31,36)/t20-,21-,28+/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QRF

QRF
Name:	2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
Formula:	C26 H23 Cl N4 O3
SMILES:	O=C(N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1)c1ccco1
InChi:	InChI=1S/C26H23ClN4O3/c27-20-12-18(14-25(32)29-23-17-28-16-19-4-1-2-5-22(19)23)13-21(15-20)30-7-9-31(10-8-30)26(33)24-6-3-11-34-24/h1-6,11-13,15-17H,7-10,14H2,(H,29,32)
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide

QRS

QRS
Name:	(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide
Formula:	C24 H24 Cl2 N4 O2
SMILES:	O=C(NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCN(C)C1
InChi:	InChI=1S/C24H24Cl2N4O2/c1-24(17-7-8-19(25)20(26)11-17,29-22(31)16-9-10-30(2)14-16)23(32)28-21-13-27-12-15-5-3-4-6-18(15)21/h3-8,11-13,16H,9-10,14H2,1-2H3,(H,28,32)(H,29,31)/t16-,24+/m0/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide

QS3

QS3
Name:	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
Formula:	C21 H16 Cl N3 O3
SMILES:	Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1
InChi:	InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione

QSC

QSC
Name:	(1R)-1-phenylethanamine
Formula:	C8 H11 N
SMILES:	NC(c1ccccc1)C
InChi:	InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
Definition date:	2011-12-22
Last modified:	2023-11-03
Release date:	2012-11-16
Identifier:	(1R)-1-phenylethanamine

QSF

QSF
Name:	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
Formula:	C19 H14 Cl N3 O2
SMILES:	Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide

QSX

QSX
Name:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:	C27 H27 Cl N4 O3
SMILES:	CN1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C27H27ClN4O3/c1-31-15-20-11-19(31)16-32(20)25(33)12-27(8-9-35-24-7-6-18(28)10-22(24)27)26(34)30-23-14-29-13-17-4-2-3-5-21(17)23/h2-7,10,13-14,19-20H,8-9,11-12,15-16H2,1H3,(H,30,34)/t19-,20-,27-/m0/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide

QT3

QT3
Name:	(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:	C20 H18 Cl N3 O
SMILES:	Clc1ccc2CCN(C)C(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C20H18ClN3O/c1-24-9-8-13-6-7-15(21)10-17(13)19(24)20(25)23-18-12-22-11-14-4-2-3-5-16(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,23,25)/t19-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

QTL

QTL
Name:	(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Formula:	C19 H16 Cl N3 O
SMILES:	Clc1ccc2CCNC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:	InChI=1S/C19H16ClN3O/c20-14-6-5-12-7-8-22-18(16(12)9-14)19(24)23-17-11-21-10-13-3-1-2-4-15(13)17/h1-6,9-11,18,22H,7-8H2,(H,23,24)/t18-/m1/s1
Definition date:	2023-08-21
Last modified:	2023-11-03
Release date:	2023-11-08
Identifier:	(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

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