General Information of the Compound
| Compound ID |
CP0420655
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| Compound Name |
2-[1-(4-acetamidobenzoyl)isoquinolin-4-yl]acetic acid
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| Structure |
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| Formula |
C20H16N2O4
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| Molecular Weight |
348.358
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| Canonical SMILES |
CC(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
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| InChI |
InChI=1S/C20H16N2O4/c1-12(23)22-15-8-6-13(7-9-15)20(26)19-17-5-3-2-4-16(17)14(11-21-19)10-18(24)25/h2-9,11H,10H2,1H3,(H,22,23)(H,24,25)
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| InChIKey |
WCASLWFECCFROM-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