General Information of the Compound
| Compound ID |
CP0962227
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| Compound Name |
3-((isoquinolin-7-yloxy)methyl)benzoic acid
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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 |
O=C(O)c1cccc(COc2ccc3ccncc3c2)c1
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| InChI |
InChI=1S/C17H13NO3/c19-17(20)14-3-1-2-12(8-14)11-21-16-5-4-13-6-7-18-10-15(13)9-16/h1-10H,11H2,(H,19,20)
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| InChIKey |
MIZSIBJALNUTBJ-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