General Information of the Compound
| Compound ID |
CP0480965
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| Compound Name |
2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-N,N-dimethyl-acetamide
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| Structure |
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| Formula |
C24H26F6N2O2
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| Molecular Weight |
488.472
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| Canonical SMILES |
CN(C)C(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C24H26F6N2O2/c1-31(2)21(33)14-32-10-6-9-20(22(32)17-7-4-3-5-8-17)34-15-16-11-18(23(25,26)27)13-19(12-16)24(28,29)30/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3/t20-,22-/m0/s1
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| InChIKey |
OAHRZWRIQLQPSK-UNMCSNQZSA-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