General Information of the Compound
| Compound ID |
CP0420652
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| Compound Name |
2-[1-[4-[(4-cyanobenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C26H17N3O4
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| Molecular Weight |
435.439
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| Canonical SMILES |
OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)C#N)cc2)c2ccccc12
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| InChI |
InChI=1S/C26H17N3O4/c27-14-16-5-7-18(8-6-16)26(33)29-20-11-9-17(10-12-20)25(32)24-22-4-2-1-3-21(22)19(15-28-24)13-23(30)31/h1-12,15H,13H2,(H,29,33)(H,30,31)
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| InChIKey |
GAEQJPJHECZHRW-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