General Information of the Compound
| Compound ID |
CP0409058
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| Compound Name |
2-[1-[4-[(3,4-dichlorophenyl)carbamoyl]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C25H16Cl2N2O4
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| Molecular Weight |
479.319
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(cc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C25H16Cl2N2O4/c26-20-10-9-17(12-21(20)27)29-25(33)15-7-5-14(6-8-15)24(32)23-19-4-2-1-3-18(19)16(13-28-23)11-22(30)31/h1-10,12-13H,11H2,(H,29,33)(H,30,31)
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| InChIKey |
BVTIJQWBFZRWMH-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