General Information of the Compound
| Compound ID |
CP0145456
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| Compound Name |
(3R,4S)-N-(2-(3,5-bis(trifluoromethyl)phenyl)propan-2-yl)-1-(1-acetylpiperidine-4-carbonyl)-4-(4-fluoro-2-methylphenyl)-N-methylpyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C32H36F7N3O3
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| Molecular Weight |
643.644
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| Canonical SMILES |
CN(C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)C1CCN(CC1)C(C)=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H36F7N3O3/c1-18-12-24(33)6-7-25(18)26-16-42(28(44)20-8-10-41(11-9-20)19(2)43)17-27(26)29(45)40(5)30(3,4)21-13-22(31(34,35)36)15-23(14-21)32(37,38)39/h6-7,12-15,20,26-27H,8-11,16-17H2,1-5H3/t26-,27+/m1/s1
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| InChIKey |
QXYXAFHTANBIQX-SXOMAYOGSA-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