General Information of the Compound
| Compound ID |
CP0432735
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| Compound Name |
2-[1-[4-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C26H18Cl2N2O4
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| Molecular Weight |
493.346
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
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| InChI |
InChI=1S/C26H18Cl2N2O4/c27-21-10-5-15(11-22(21)28)12-23(31)30-18-8-6-16(7-9-18)26(34)25-20-4-2-1-3-19(20)17(14-29-25)13-24(32)33/h1-11,14H,12-13H2,(H,30,31)(H,32,33)
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| InChIKey |
VWQRLVYVNCTXBW-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