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MF0
MF0
Name:(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide
Formula:C14 H14 Cl N3 O
SMILES:O=C(Nc1cnccc1C)C(C)c1cc(Cl)cnc1
InChi:InChI=1S/C14H14ClN3O/c1-9-3-4-16-8-13(9)18-14(19)10(2)11-5-12(15)7-17-6-11/h3-8,10H,1-2H3,(H,18,19)/t10-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide
Q45
Q45
Name:2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide
Formula:C15 H24 N4 O3 S
SMILES:O=C(CN1CCCCC1CCNS(C)(=O)=O)Nc1cccnc1
InChi:InChI=1S/C15H24N4O3S/c1-23(21,22)17-9-7-14-6-2-3-10-19(14)12-15(20)18-13-5-4-8-16-11-13/h4-5,8,11,14,17H,2-3,6-7,9-10,12H2,1H3,(H,18,20)/t14-/m0/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide
KU6
KU6
Name:(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C15 H15 Cl N4 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1C1CC1
InChi:InChI=1S/C15H15ClN4O2/c16-9-1-4-13-12(7-9)11(5-6-22-13)14(21)18-15-19-17-8-20(15)10-2-3-10/h1,4,7-8,10-11H,2-3,5-6H2,(H,18,19,21)/t11-/m1/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OHC
OHC
Name:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
Formula:C17 H18 Cl N3 O2
SMILES:O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1
InChi:InChI=1S/C17H18ClN3O2/c1-11-3-4-19-10-16(11)21-17(23)8-13-5-14(7-15(18)6-13)9-20-12(2)22/h3-7,10H,8-9H2,1-2H3,(H,20,22)(H,21,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide
TRP
TRP
Name:TRYPTOPHAN
Formula:C11 H12 N2 O2
SMILES:O=C(O)C(N)Cc2c1ccccc1nc2
InChi:InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
Definition date:1999-07-08
Last modified:2023-11-03
Identifier:L-tryptophan
M0G
M0G
Name:(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
Formula:C16 H17 Cl N2 O2
SMILES:O=C(Nc1cnccc1C)C(O)(CC)c1cccc(Cl)c1
InChi:InChI=1S/C16H17ClN2O2/c1-3-16(21,12-5-4-6-13(17)9-12)15(20)19-14-10-18-8-7-11(14)2/h4-10,21H,3H2,1-2H3,(H,19,20)/t16-/m0/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide
Q4R
Q4R
Name:N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide
Formula:C18 H18 N4 O3 S
SMILES:O=C(Nc1cnccc1C)CN(C)S(=O)(=O)c1cccc2cccnc21
InChi:InChI=1S/C18H18N4O3S/c1-13-8-10-19-11-15(13)21-17(23)12-22(2)26(24,25)16-7-3-5-14-6-4-9-20-18(14)16/h3-11H,12H2,1-2H3,(H,21,23)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide
M0X
M0X
Name:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
Formula:C21 H21 N5 O S
SMILES:O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(cc1)N(C)C
InChi:InChI=1S/C21H21N5OS/c1-24(2)17-7-9-18(10-8-17)25(13-16-11-12-28-15-16)21(27)14-26-20-6-4-3-5-19(20)22-23-26/h3-12,15H,13-14H2,1-2H3
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
KUU
KUU
Name:(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
Formula:C17 H19 Cl N2 O
SMILES:O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C
InChi:InChI=1S/C17H19ClN2O/c1-11(2)16(13-5-4-6-14(18)9-13)17(21)20-15-10-19-8-7-12(15)3/h4-11,16H,1-3H3,(H,20,21)/t16-/m1/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
OI4
OI4
Name:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C16 H15 Cl N2 O2
SMILES:Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C16H15ClN2O2/c1-10-4-6-18-9-14(10)19-16(20)12-5-7-21-15-3-2-11(17)8-13(12)15/h2-4,6,8-9,12H,5,7H2,1H3,(H,19,20)/t12-/m1/s1
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
MVR
MVR
Name:N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide
Formula:C23 H21 N5 O
SMILES:Cn1ccc(CN(C(=O)Cc2cccnc2)c2ccc(cc2)c2ccccn2)n1
InChi:InChI=1S/C23H21N5O/c1-27-14-11-20(26-27)17-28(23(29)15-18-5-4-12-24-16-18)21-9-7-19(8-10-21)22-6-2-3-13-25-22/h2-14,16H,15,17H2,1H3
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide
OIE
OIE
Name:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C16 H12 Cl N3 O
SMILES:O=C(Cc1cc(Cl)ccn1)Nc1cncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-12-5-6-19-13(7-12)8-16(21)20-15-10-18-9-11-3-1-2-4-14(11)15/h1-7,9-10H,8H2,(H,20,21)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide
MVX
MVX
Name:(3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:C14 H13 Cl N4 O2
SMILES:Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1C1CC1
InChi:InChI=1S/C14H13ClN4O2/c15-8-1-4-12-10(5-8)11(6-21-12)13(20)17-14-18-16-7-19(14)9-2-3-9/h1,4-5,7,9,11H,2-3,6H2,(H,17,18,20)/t11-/m1/s1
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
OYF
OYF
Name:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C18 H14 Cl N3 O2
SMILES:Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C18H14ClN3O2/c19-12-1-2-17-15(7-12)14(4-6-24-17)18(23)22-16-10-21-9-11-8-20-5-3-13(11)16/h1-3,5,7-10,14H,4,6H2,(H,22,23)/t14-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
OIK
OIK
Name:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
Formula:C20 H19 N3 O
SMILES:O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O/c24-20(19-15-21-14-16-6-4-5-9-18(16)19)23-12-10-22(11-13-23)17-7-2-1-3-8-17/h1-9,14-15H,10-13H2
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone
KVF
KVF
Name:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
Formula:C15 H16 Cl N3 O
SMILES:Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1
InChi:InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
Q5K
Q5K
Name:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
Formula:C19 H16 F N3 O4 S
SMILES:OC(C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccnc1
InChi:InChI=1S/C19H16FN3O4S/c20-14-7-9-15(10-8-14)28(26,27)23-17-6-2-1-5-16(17)22-19(25)18(24)13-4-3-11-21-12-13/h1-12,18,23-24H,(H,22,25)/t18-/m0/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide
KVO
KVO
Name:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
Formula:C15 H15 Cl N2 O
SMILES:Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
Q5R
Q5R
Name:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
Formula:C20 H19 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
OYX
OYX
Name:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
Formula:C24 H28 N2 O S
SMILES:O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1)Cc1cccs1
InChi:InChI=1S/C24H28N2OS/c27-24(15-21-17-25-16-20-9-4-5-11-23(20)21)26(18-22-10-6-14-28-22)13-12-19-7-2-1-3-8-19/h4-6,9-11,14,16-17,19H,1-3,7-8,12-13,15,18H2
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide
KVX
KVX
Name:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:C15 H13 Cl N2 O3
SMILES:OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21
InChi:InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
Q60
Q60
Name:N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
Formula:C19 H22 N6 O
SMILES:Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1
InChi:InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
M26
M26
Name:N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
Formula:C19 H18 Br F N2 O3
SMILES:Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O
InChi:InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
OJ9
OJ9
Name:2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H13 Cl N2 O2
SMILES:Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H13ClN2O2/c20-15-7-12-5-6-24-19(12)14(8-15)9-18(23)22-17-11-21-10-13-3-1-2-4-16(13)17/h1-8,10-11H,9H2,(H,22,23)
Definition date:2023-08-17
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide
KW9
KW9
Name:7-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)Nc2cc(F)ccc21
InChi:InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide

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數據於2025-10-15公開中

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