General Information of the Compound
| Compound ID |
CP0524764
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| Compound Name |
N-(3-cyanophenyl)-3-[3-(6-methylpyridin-2-yl)-4-quinolin-6-ylpyrazol-1-yl]propanethioamide
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| Structure |
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| Formula |
C28H22N6S
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| Molecular Weight |
474.593
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CCC(=S)Nc2cccc(c2)C#N)cc1-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C28H22N6S/c1-19-5-2-9-26(31-19)28-24(21-10-11-25-22(16-21)7-4-13-30-25)18-34(33-28)14-12-27(35)32-23-8-3-6-20(15-23)17-29/h2-11,13,15-16,18H,12,14H2,1H3,(H,32,35)
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| InChIKey |
HGJGLMBKNFJBHW-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