General Information of the Compound
| Compound ID |
CP0869144
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| Compound Name |
methyl 3-(1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamido)-5-(trifluoromethyl)benzoate
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| Structure |
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| Formula |
C22H21F3N2O4
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| Molecular Weight |
434.414
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| Canonical SMILES |
COC(=O)c1cc(NC(=O)C2CC(=O)N(c3c(C)cccc3C)C2)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C22H21F3N2O4/c1-12-5-4-6-13(2)19(12)27-11-15(9-18(27)28)20(29)26-17-8-14(21(30)31-3)7-16(10-17)22(23,24)25/h4-8,10,15H,9,11H2,1-3H3,(H,26,29)
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| InChIKey |
XPXKVXMEVBZGAN-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