General Information of the Compound
| Compound ID |
CP0420654
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| Compound Name |
2-[1-[4-(1-benzofuran-2-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C27H18N2O5
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| Molecular Weight |
450.45
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c2ccccc12
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| InChI |
InChI=1S/C27H18N2O5/c30-24(31)14-18-15-28-25(21-7-3-2-6-20(18)21)26(32)16-9-11-19(12-10-16)29-27(33)23-13-17-5-1-4-8-22(17)34-23/h1-13,15H,14H2,(H,29,33)(H,30,31)
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| InChIKey |
RHJYFBMNNRRKDR-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