General Information of the Compound
| Compound ID |
CP0494460
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| Compound Name |
N-(3-cyanophenyl)-2-[3-(6-methylpyridin-2-yl)-4-quinoxalin-6-ylpyrazol-1-yl]ethanethioamide
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| Structure |
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| Formula |
C26H19N7S
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| Molecular Weight |
461.554
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(c2)C#N)cc1-c1ccc2nccnc2c1
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| InChI |
InChI=1S/C26H19N7S/c1-17-4-2-7-23(30-17)26-21(19-8-9-22-24(13-19)29-11-10-28-22)15-33(32-26)16-25(34)31-20-6-3-5-18(12-20)14-27/h2-13,15H,16H2,1H3,(H,31,34)
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| InChIKey |
RDYDUALVZPXTDK-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