General Information of the Compound
| Compound ID |
CP0448996
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-phenyl)-N-(4-dimethylamino-1-phenyl-cyclohexyl)-propionamide
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| Formula |
C25H28F6N2O
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| Molecular Weight |
486.5
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| Canonical SMILES |
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N(C)C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H28F6N2O/c1-16(17-13-19(24(26,27)28)15-20(14-17)25(29,30)31)22(34)32-23(18-7-5-4-6-8-18)11-9-21(10-12-23)33(2)3/h4-8,13-16,21H,9-12H2,1-3H3,(H,32,34)/t16?,21-,23+
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| InChIKey |
MREQKXYHVPWIQW-NLPFKWBYSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor