General Information of the Compound
| Compound ID |
CP0473100
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| Compound Name |
N-(2-fluorophenyl)-2-[3-(6-methylpyridin-2-yl)-4-(2-phenylpyridin-4-yl)pyrazol-1-yl]ethanethioamide
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| Structure |
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| Formula |
C28H22FN5S
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| Molecular Weight |
479.584
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| Canonical SMILES |
Cc1cccc(n1)-c1nn(CC(=S)Nc2ccccc2F)cc1-c1ccnc(c1)-c1ccccc1
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| InChI |
InChI=1S/C28H22FN5S/c1-19-8-7-13-25(31-19)28-22(21-14-15-30-26(16-21)20-9-3-2-4-10-20)17-34(33-28)18-27(35)32-24-12-6-5-11-23(24)29/h2-17H,18H2,1H3,(H,32,35)
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| InChIKey |
NOEAGWPWMFJLOI-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