General Information of the Compound
| Compound ID |
CP0444918
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| Compound Name |
1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C23H22F7NO2
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| Molecular Weight |
477.42
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| Canonical SMILES |
CCC(=O)N1C[C@@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H22F7NO2/c1-3-21(32)31-11-19(14-4-6-18(24)7-5-14)20(12-31)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h4-10,13,19-20H,3,11-12H2,1-2H3/t13-,19+,20-/m1/s1
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| InChIKey |
FMABFMLLPROUJK-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