General Information of the Compound
| Compound ID |
CP0549051
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| Compound Name |
1,3-dioxo-4H-isoquinoline-7-carboxylic acid
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| Structure |
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| Formula |
C10H7NO4
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| Molecular Weight |
205.169
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| Canonical SMILES |
OC(=O)c1ccc2CC(=O)NC(=O)c2c1
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| InChI |
InChI=1S/C10H7NO4/c12-8-4-5-1-2-6(10(14)15)3-7(5)9(13)11-8/h1-3H,4H2,(H,14,15)(H,11,12,13)
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| InChIKey |
ROWDWMZXFXQXCW-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