General Information of the Compound
| Compound ID |
CP0469788
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| Compound Name |
US8791272, 3.10
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| Structure |
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| Formula |
C24H26ClN3O4
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| Molecular Weight |
455.942
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3Cl)cc2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C24H26ClN3O4/c1-3-21-19(13-23(29)30)22(4-2)28(27-21)14-16-9-11-18(12-10-16)26-24(31)32-15-17-7-5-6-8-20(17)25/h5-12H,3-4,13-15H2,1-2H3,(H,26,31)(H,29,30)
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| InChIKey |
SPVVCHHVMTYJFD-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