General Information of the Compound
| Compound ID |
CP0398826
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| Compound Name |
2-(4-(carboxymethoxy)-3-methylbenzyl)isoindoline-1-carboxylic acid
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| Structure |
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| Formula |
C19H19NO5
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| Molecular Weight |
341.363
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| Canonical SMILES |
Cc1cc(CN2Cc3ccccc3C2C(O)=O)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H19NO5/c1-12-8-13(6-7-16(12)25-11-17(21)22)9-20-10-14-4-2-3-5-15(14)18(20)19(23)24/h2-8,18H,9-11H2,1H3,(H,21,22)(H,23,24)
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| InChIKey |
FTRRTRJWEPYIES-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