General Information of the Compound
| Compound ID |
CP0380963
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| Compound Name |
2-[1-[4-[(3,4-dichlorophenyl)methoxy]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C25H17Cl2NO4
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| Molecular Weight |
466.32
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
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| InChI |
InChI=1S/C25H17Cl2NO4/c26-21-10-5-15(11-22(21)27)14-32-18-8-6-16(7-9-18)25(31)24-20-4-2-1-3-19(20)17(13-28-24)12-23(29)30/h1-11,13H,12,14H2,(H,29,30)
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| InChIKey |
SZZKJURRVAGVCL-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