General Information of the Compound
| Compound ID |
CP0549646
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| Compound Name |
2-[1-[4-[(4-methoxybenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C26H20N2O5
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| Molecular Weight |
440.455
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C26H20N2O5/c1-33-20-12-8-17(9-13-20)26(32)28-19-10-6-16(7-11-19)25(31)24-22-5-3-2-4-21(22)18(15-27-24)14-23(29)30/h2-13,15H,14H2,1H3,(H,28,32)(H,29,30)
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| InChIKey |
WTEPZSQKRLXTSG-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