General Information of the Compound
| Compound ID |
CP0307726
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| Compound Name |
3-(1,3-dioxo-4H-isoquinolin-6-yl)benzoic acid
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| Structure |
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| Formula |
C16H11NO4
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| Molecular Weight |
281.267
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| Canonical SMILES |
OC(=O)c1cccc(c1)-c1ccc2C(=O)NC(=O)Cc2c1
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| InChI |
InChI=1S/C16H11NO4/c18-14-8-12-7-10(4-5-13(12)15(19)17-14)9-2-1-3-11(6-9)16(20)21/h1-7H,8H2,(H,20,21)(H,17,18,19)
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| InChIKey |
MBRXHHZXVICGKJ-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