General Information of the Compound
| Compound ID |
CP0403525
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| Compound Name |
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(2-propan-2-ylphenyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C33H39F6N3O3
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| Molecular Weight |
639.681
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| Canonical SMILES |
CC(C)c1ccccc1[C@H]1CN(CC[C@@H]1C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C33H39F6N3O3/c1-20(2)26-7-5-6-8-27(26)29-19-42(30(44)23-9-12-41(13-10-23)21(3)43)14-11-28(29)31(45)40(4)18-22-15-24(32(34,35)36)17-25(16-22)33(37,38)39/h5-8,15-17,20,23,28-29H,9-14,18-19H2,1-4H3/t28-,29+/m0/s1
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| InChIKey |
WMSPIQBQSSMIDU-URLMMPGGSA-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