General Information of the Compound
| Compound ID |
CP0407811
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| Compound Name |
(3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)-N,N-dimethylpyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C23H23F7N2O2
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| Molecular Weight |
492.435
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)N(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H23F7N2O2/c1-13(15-8-16(22(25,26)27)10-17(9-15)23(28,29)30)34-20-12-32(21(33)31(2)3)11-19(20)14-4-6-18(24)7-5-14/h4-10,13,19-20H,11-12H2,1-3H3/t13-,19+,20-/m1/s1
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| InChIKey |
ZADBRRWPUCQOJX-CAYVGHNUSA-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