General Information of the Compound
| Compound ID |
CP0510138
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| Compound Name |
(3R,4R)-1-(2-acetamidoacetyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C26H27F6N3O3
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| Molecular Weight |
543.508
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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]1c1ccccc1)C(=O)CNC(C)=O
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| InChI |
InChI=1S/C26H27F6N3O3/c1-16(36)33-13-23(37)35-9-8-21(22(15-35)18-6-4-3-5-7-18)24(38)34(2)14-17-10-19(25(27,28)29)12-20(11-17)26(30,31)32/h3-7,10-12,21-22H,8-9,13-15H2,1-2H3,(H,33,36)/t21-,22+/m1/s1
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| InChIKey |
XPWWPOWERDNVHK-YADHBBJMSA-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