General Information of the Compound
| Compound ID |
CP0225569
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| Compound Name |
3-[3,5-bis(trifluoromethyl)phenyl]-N-(4-fluorophenyl)-N-piperidin-4-ylpropanamide
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| Structure |
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| Formula |
C22H21F7N2O
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| Molecular Weight |
462.409
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| Canonical SMILES |
Fc1ccc(cc1)N(C1CCNCC1)C(=O)CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H21F7N2O/c23-17-2-4-18(5-3-17)31(19-7-9-30-10-8-19)20(32)6-1-14-11-15(21(24,25)26)13-16(12-14)22(27,28)29/h2-5,11-13,19,30H,1,6-10H2
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| InChIKey |
DORXFPYAVMERKG-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