General Information of the Compound
| Compound ID |
CP0568628
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| Compound Name |
4-[(6-bromo-3-methyl-1-oxo-2-phenylisoquinoline-4-carbonyl)amino]-3-fluorobenzoic acid
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| Structure |
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| Formula |
C24H16BrFN2O4
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| Molecular Weight |
495.304
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| Canonical SMILES |
Cc1c(C(=O)Nc2ccc(cc2F)C(O)=O)c2cc(Br)ccc2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C24H16BrFN2O4/c1-13-21(22(29)27-20-10-7-14(24(31)32)11-19(20)26)18-12-15(25)8-9-17(18)23(30)28(13)16-5-3-2-4-6-16/h2-12H,1H3,(H,27,29)(H,31,32)
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| InChIKey |
IYXVIZFMCZGPTG-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