General Information of the Compound
| Compound ID |
CP0513483
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| Compound Name |
(3S,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-[2-(methylamino)-2-oxoacetyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C26H26F7N3O3
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| Molecular Weight |
561.498
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| Canonical SMILES |
CNC(=O)C(=O)N1CC[C@@H]([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H26F7N3O3/c1-14-8-18(27)4-5-19(14)21-13-36(24(39)22(37)34-2)7-6-20(21)23(38)35(3)12-15-9-16(25(28,29)30)11-17(10-15)26(31,32)33/h4-5,8-11,20-21H,6-7,12-13H2,1-3H3,(H,34,37)/t20-,21+/m0/s1
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| InChIKey |
MEXMPBWDLRCQRU-LEWJYISDSA-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