General Information of the Compound
| Compound ID |
CP0511236
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-methyl-piperidin-1-yl)-1-phenyl-cyclohexyl]-propionamide
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| Formula |
C29H34F6N2O
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| Molecular Weight |
540.592
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| Canonical SMILES |
CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCC(C)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H34F6N2O/c1-19-10-14-37(15-11-19)25-8-12-27(13-9-25,22-6-4-3-5-7-22)36-26(38)20(2)21-16-23(28(30,31)32)18-24(17-21)29(33,34)35/h3-7,16-20,25H,8-15H2,1-2H3,(H,36,38)/t20?,25-,27+
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| InChIKey |
HZLKQILBSBUCFK-BWQCZWHASA-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