General Information of the Compound
| Compound ID |
CP0419766
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| Compound Name |
4-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpyrazol-3-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C20H17F4N3O
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| Molecular Weight |
391.368
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| Canonical SMILES |
Cc1cc(ccc1C(N)=O)-c1cc(Cc2cc(F)cc(c2)C(F)(F)F)nn1C
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| InChI |
InChI=1S/C20H17F4N3O/c1-11-5-13(3-4-17(11)19(25)28)18-10-16(26-27(18)2)8-12-6-14(20(22,23)24)9-15(21)7-12/h3-7,9-10H,8H2,1-2H3,(H2,25,28)
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| InChIKey |
DIWBGPZKWMTJDG-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