General Information of the Compound
| Compound ID |
CP0412908
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| Compound Name |
4-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidin-1-yl)-1-methyl-1H-pyrrol-2(5H)-one
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| Structure |
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| Formula |
C25H23F7N2O2
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| Molecular Weight |
516.457
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C1=CC(=O)N(C)C1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H23F7N2O2/c1-14(16-7-17(24(27,28)29)9-18(8-16)25(30,31)32)36-22-13-34(20-10-23(35)33(2)11-20)12-21(22)15-3-5-19(26)6-4-15/h3-10,14,21-22H,11-13H2,1-2H3/t14-,21+,22-/m1/s1
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| InChIKey |
DGBAJNCOLJSECV-YKAGIRRDSA-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