General Information of the Compound
| Compound ID |
CP0504378
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| Compound Name |
1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C25H27ClF4N2O2
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| Molecular Weight |
498.948
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| Canonical SMILES |
OC1(CCN(CC1)C(CNC(=O)C1(CC1)c1ccc(Cl)cc1)Cc1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C25H27ClF4N2O2/c26-19-5-3-18(4-6-19)23(9-10-23)22(33)31-16-21(15-17-1-7-20(27)8-2-17)32-13-11-24(34,12-14-32)25(28,29)30/h1-8,21,34H,9-16H2,(H,31,33)
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| InChIKey |
ZGUQIIBJOCXMDV-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