General Information of the Compound
| Compound ID |
CP0578279
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| Compound Name |
4-[(6-bromo-3-methyl-2-phenylquinolin-4-yl)methylamino]-3-fluorobenzoic acid
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| Formula |
C24H18BrFN2O2
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| Molecular Weight |
465.322
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| Canonical SMILES |
Cc1c(CNc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2nc1-c1ccccc1
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| InChI |
InChI=1S/C24H18BrFN2O2/c1-14-19(13-27-22-9-7-16(24(29)30)11-20(22)26)18-12-17(25)8-10-21(18)28-23(14)15-5-3-2-4-6-15/h2-12,27H,13H2,1H3,(H,29,30)
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| InChIKey |
XYXZUMVOWFXLHT-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