General Information of the Compound
| Compound ID |
CP0410350
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| Compound Name |
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NCCNc1nc2cc(C)cc(C)c2cc1C#N
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| InChI |
InChI=1S/C22H22N4O2/c1-14-10-15(2)19-12-17(13-23)21(26-20(19)11-14)24-8-9-25-22(27)16-4-6-18(28-3)7-5-16/h4-7,10-12H,8-9H2,1-3H3,(H,24,26)(H,25,27)
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| InChIKey |
MTPRKXFOFPRHJE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02042, Cystic fibrosis transmembrane conductance regulator
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic