General Information of the Compound
| Compound ID |
CP0460662
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| Compound Name |
N-(3-cyanophenyl)-2-[3-(6-methylpyridin-2-yl)-4-quinolin-6-ylpyrazol-1-yl]acetamide
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| Structure |
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| Formula |
C27H20N6O
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| Molecular Weight |
444.498
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=O)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C27H20N6O/c1-18-5-2-9-25(30-18)27-23(20-10-11-24-21(14-20)7-4-12-29-24)16-33(32-27)17-26(34)31-22-8-3-6-19(13-22)15-28/h2-14,16H,17H2,1H3,(H,31,34)
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| InChIKey |
CSVAYJICHSGDHD-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