General Information of the Compound
| Compound ID |
CP0471352
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| Compound Name |
3-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-2-methylcyclopent-2-enone
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| Structure |
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| Formula |
C26H24F7NO2
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| Molecular Weight |
515.469
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H24F7NO2/c1-14-22(7-8-23(14)35)34-12-21(16-3-5-20(27)6-4-16)24(13-34)36-15(2)17-9-18(25(28,29)30)11-19(10-17)26(31,32)33/h3-6,9-11,15,21,24H,7-8,12-13H2,1-2H3/t15-,21+,24-/m1/s1
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| InChIKey |
BVHJWOSUNVNWPB-OECQAKIHSA-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