General Information of the Compound
| Compound ID |
CP0530780
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| Compound Name |
2-[3-(6-methylpyridin-2-yl)-4-(2-phenylpyridin-4-yl)pyrazol-1-yl]-N-phenylethanethioamide
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| Structure |
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| Formula |
C28H23N5S
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| Molecular Weight |
461.594
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2ccccc2)cc1-c1ccnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C28H23N5S/c1-20-9-8-14-25(30-20)28-24(22-15-16-29-26(17-22)21-10-4-2-5-11-21)18-33(32-28)19-27(34)31-23-12-6-3-7-13-23/h2-18H,19H2,1H3,(H,31,34)
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| InChIKey |
GQWBKVJRCLJHLC-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