General Information of the Compound
| Compound ID |
CP0500379
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| Compound Name |
US8791272, 9.27
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| Structure |
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| Formula |
C24H22ClF4N3O3
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| Molecular Weight |
511.903
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)C(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H22ClF4N3O3/c1-3-20-16(11-22(33)34)21(4-2)32(31-20)12-14-6-5-13(9-19(14)26)23(35)30-15-7-8-18(25)17(10-15)24(27,28)29/h5-10H,3-4,11-12H2,1-2H3,(H,30,35)(H,33,34)
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| InChIKey |
CLHLHVWTKVWUNR-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