General Information of the Compound
| Compound ID |
CP0555897
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| Compound Name |
2-[1-[4-(pyridazine-3-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C23H16N4O4
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| Molecular Weight |
412.405
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccnn3)cc2)c2ccccc12
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| InChI |
InChI=1S/C23H16N4O4/c28-20(29)12-15-13-24-21(18-5-2-1-4-17(15)18)22(30)14-7-9-16(10-8-14)26-23(31)19-6-3-11-25-27-19/h1-11,13H,12H2,(H,26,31)(H,28,29)
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| InChIKey |
BIIVYPLTYWATMS-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