General Information of the Compound
| Compound ID |
CP0401410
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| Compound Name |
1-((2R,3S,4R)-4-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C23H22F7NO3
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| Molecular Weight |
493.419
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| Canonical SMILES |
C[C@@H](O[C@H]1CN([C@@H](CO)[C@@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H22F7NO3/c1-12(15-7-16(22(25,26)27)9-17(8-15)23(28,29)30)34-20-10-31(13(2)33)19(11-32)21(20)14-3-5-18(24)6-4-14/h3-9,12,19-21,32H,10-11H2,1-2H3/t12-,19+,20+,21+/m1/s1
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| InChIKey |
XJRHWGMMLUJUMV-DDEZQWHHSA-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