General Information of the Compound
| Compound ID |
CP0476028
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| Compound Name |
2-[1-[4-[(3,4-dichlorobenzoyl)-methylamino]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 |
CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C26H18Cl2N2O4/c1-30(26(34)16-8-11-21(27)22(28)12-16)18-9-6-15(7-10-18)25(33)24-20-5-3-2-4-19(20)17(14-29-24)13-23(31)32/h2-12,14H,13H2,1H3,(H,31,32)
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| InChIKey |
ZMDOKHUBRVKYOC-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