General Information of the Compound
| Compound ID |
CP0566214
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| Compound Name |
2-[1-[4-(pyridine-2-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C24H17N3O4
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| Molecular Weight |
411.417
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)c2ccccc12
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| InChI |
InChI=1S/C24H17N3O4/c28-21(29)13-16-14-26-22(19-6-2-1-5-18(16)19)23(30)15-8-10-17(11-9-15)27-24(31)20-7-3-4-12-25-20/h1-12,14H,13H2,(H,27,31)(H,28,29)
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| InChIKey |
ZHCULRXYKFYAPE-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