General Information of the Compound
| Compound ID |
CP0502590
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| Compound Name |
N-(3-cyanophenyl)-2-[4-(4-methoxyquinolin-6-yl)-3-(6-methylpyridin-2-yl)pyrazol-1-yl]acetamide
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| Structure |
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| Formula |
C28H22N6O2
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| Molecular Weight |
474.524
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| Canonical SMILES |
COc1ccnc2ccc(cc12)-c1cn(CC(=O)Nc2cccc(c2)C#N)nc1-c1cccc(C)n1
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| InChI |
InChI=1S/C28H22N6O2/c1-18-5-3-8-25(31-18)28-23(20-9-10-24-22(14-20)26(36-2)11-12-30-24)16-34(33-28)17-27(35)32-21-7-4-6-19(13-21)15-29/h3-14,16H,17H2,1-2H3,(H,32,35)
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| InChIKey |
AFVKISLMRSPHQO-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