General Information of the Compound
| Compound ID |
CP0510766
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| Compound Name |
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-N-tert-butyl-4-(4-fluorophenyl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C25H27F7N2O2
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| Molecular Weight |
520.489
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H27F7N2O2/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)36-21-13-34(22(35)33-23(2,3)4)12-20(21)15-5-7-19(26)8-6-15/h5-11,14,20-21H,12-13H2,1-4H3,(H,33,35)/t14-,20+,21-/m1/s1
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| InChIKey |
IVTXMVOXEXNZPJ-PUCZYUMASA-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