General Information of the Compound
| Compound ID |
CP0575479
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| Compound Name |
N-(3-cyanophenyl)-2-[3-(6-methylpyridin-2-yl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
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| Structure |
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| Formula |
C25H18N6S2
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| Molecular Weight |
466.595
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2cccc(c2)C#N)cc1-c1cc2cnccc2s1
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| InChI |
InChI=1S/C25H18N6S2/c1-16-4-2-7-21(28-16)25-20(23-11-18-13-27-9-8-22(18)33-23)14-31(30-25)15-24(32)29-19-6-3-5-17(10-19)12-26/h2-11,13-14H,15H2,1H3,(H,29,32)
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| InChIKey |
UWGGOJHRAMGQCH-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