General Information of the Compound
| Compound ID |
CP0525560
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| Compound Name |
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
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| Structure |
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| Formula |
C18H20ClF3N2O2
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| Molecular Weight |
388.817
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)N1CCC(C1)C(=O)N1CC2COCC2C1
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| InChI |
InChI=1S/C18H20ClF3N2O2/c19-16-2-1-14(5-15(16)18(20,21)22)23-4-3-11(6-23)17(25)24-7-12-9-26-10-13(12)8-24/h1-2,5,11-13H,3-4,6-10H2
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| InChIKey |
MYFCONVOQBKWQJ-UHFFFAOYSA-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