General Information of the Compound
| Compound ID |
CP0098417
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| Compound Name |
6-(3-acetylphenyl)-4H-isoquinoline-1,3-dione
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| Structure |
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| Formula |
C17H13NO3
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| Molecular Weight |
279.295
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| Canonical SMILES |
CC(=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
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| InChI |
InChI=1S/C17H13NO3/c1-10(19)11-3-2-4-12(7-11)13-5-6-15-14(8-13)9-16(20)18-17(15)21/h2-8H,9H2,1H3,(H,18,20,21)
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| InChIKey |
SNVNIHDCYLBJRZ-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