General Information of the Compound
| Compound ID |
CP0485211
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| Compound Name |
(R)-5-((((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)methyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C27H29F7N2O2
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| Molecular Weight |
546.527
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C[C@H]1CCC(=O)N1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H29F7N2O2/c1-15(17-11-18(26(29,30)31)13-19(12-17)27(32,33)34)38-23-9-8-22(25(23)16-3-5-20(28)6-4-16)36(2)14-21-7-10-24(37)35-21/h3-6,11-13,15,21-23,25H,7-10,14H2,1-2H3,(H,35,37)/t15-,21-,22-,23+,25+/m1/s1
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| InChIKey |
IEYQHTJOUJKMRE-XIEYUCHBSA-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