General Information of the Compound
| Compound ID |
CP0449972
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| Compound Name |
US8614213, 16b
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| Structure |
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| Formula |
C22H24ClF3N2O
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| Molecular Weight |
424.894
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| Canonical SMILES |
C[C@H]1CC(CNc2ccccc2)CCC1NC(=O)c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H24ClF3N2O/c1-14-11-15(13-27-17-5-3-2-4-6-17)7-10-20(14)28-21(29)18-12-16(22(24,25)26)8-9-19(18)23/h2-6,8-9,12,14-15,20,27H,7,10-11,13H2,1H3,(H,28,29)/t14-,15?,20?/m0/s1
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| InChIKey |
MAFXSFPELKMUMP-BQTBQCLESA-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