General Information of the Compound
| Compound ID |
CP0510130
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| Compound Name |
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C30H32F7N3O3
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| Molecular Weight |
615.59
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| Canonical SMILES |
CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C30H32F7N3O3/c1-18(41)39-10-7-21(8-11-39)27(42)40-12-9-25(26(17-40)20-3-5-24(31)6-4-20)28(43)38(2)16-19-13-22(29(32,33)34)15-23(14-19)30(35,36)37/h3-6,13-15,21,25-26H,7-12,16-17H2,1-2H3/t25-,26+/m0/s1
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| InChIKey |
XYYBIGZRYVVKHM-IZZNHLLZSA-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