General Information of the Compound
| Compound ID |
CP0374949
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| Compound Name |
1-[3,5-bis(trifluoromethyl)benzoyl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C22H20F6N2O3
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| Molecular Weight |
474.401
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| Canonical SMILES |
COc1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H20F6N2O3/c1-33-18-6-2-5-17(11-18)29-19(31)13-4-3-7-30(12-13)20(32)14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h2,5-6,8-11,13H,3-4,7,12H2,1H3,(H,29,31)
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| InChIKey |
XVCXCZAUBCQNRH-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