General Information of the Compound
| Compound ID |
CP0500256
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| Compound Name |
(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H31F6N3O3
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| Molecular Weight |
583.573
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N1CC[C@H]([C@@H](C1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H31F6N3O3/c1-18(39)37-10-7-21(8-11-37)27(41)38-12-9-24(25(17-38)20-5-3-2-4-6-20)26(40)36-16-19-13-22(28(30,31)32)15-23(14-19)29(33,34)35/h2-6,13-15,21,24-25H,7-12,16-17H2,1H3,(H,36,40)/t24-,25+/m1/s1
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| InChIKey |
NCDMNHIASQLMMD-RPBOFIJWSA-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