General Information of the Compound
| Compound ID |
CP0551800
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| Compound Name |
2-[1-[4-[(4-chlorophenyl)carbamoyl]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C25H17ClN2O4
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| Molecular Weight |
444.874
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(cc2)C(=O)Nc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H17ClN2O4/c26-18-9-11-19(12-10-18)28-25(32)16-7-5-15(6-8-16)24(31)23-21-4-2-1-3-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30)
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| InChIKey |
DQKKTKWQDFYPBA-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