General Information of the Compound
| Compound ID |
CP0391406
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| Compound Name |
(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-oxamoylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C25H24F7N3O3
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| Molecular Weight |
547.471
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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)cc1C)C(=O)C(N)=O
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| InChI |
InChI=1S/C25H24F7N3O3/c1-13-7-17(26)3-4-18(13)20-12-35(23(38)21(33)36)6-5-19(20)22(37)34(2)11-14-8-15(24(27,28)29)10-16(9-14)25(30,31)32/h3-4,7-10,19-20H,5-6,11-12H2,1-2H3,(H2,33,36)/t19-,20+/m1/s1
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| InChIKey |
JNSYLTHKBVSSSE-UXHICEINSA-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