General Information of the Compound
| Compound ID |
CP0456460
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| Compound Name |
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-cyclopropyl-4-(4-phenylpiperidin-1-yl)butanamide
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| Structure |
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| Formula |
C27H30F6N2O
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| Molecular Weight |
512.538
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC(CC2)c2ccccc2)C2CC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H30F6N2O/c28-26(29,30)22-14-18(15-23(16-22)27(31,32)33)17-34-25(36)24(21-6-7-21)10-13-35-11-8-20(9-12-35)19-4-2-1-3-5-19/h1-5,14-16,20-21,24H,6-13,17H2,(H,34,36)/t24-/m0/s1
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| InChIKey |
VNMQSFGXHMQIMW-DEOSSOPVSA-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