General Information of the Compound
| Compound ID |
CP0380042
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| Compound Name |
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide
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| Structure |
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| Formula |
C18H10ClF6N3O
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| Molecular Weight |
433.739
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| Canonical SMILES |
FC(F)(F)c1cc(n(n1)-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H10ClF6N3O/c19-11-3-1-10(2-4-11)16(29)26-12-5-7-13(8-6-12)28-15(18(23,24)25)9-14(27-28)17(20,21)22/h1-9H,(H,26,29)
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| InChIKey |
YXIFDERYVOQAKL-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