General Information of the Compound
| Compound ID |
CP0238033
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| Compound Name |
methyl 5-(1,3-dihydroisoindole-2-carbonyl)-2,4-dihydroxybenzoate
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| Structure |
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| Formula |
C17H15NO5
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| Molecular Weight |
313.309
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| Canonical SMILES |
COC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
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| InChI |
InChI=1S/C17H15NO5/c1-23-17(22)13-6-12(14(19)7-15(13)20)16(21)18-8-10-4-2-3-5-11(10)9-18/h2-7,19-20H,8-9H2,1H3
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| InChIKey |
HHMQHLDMDAEPGH-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