General Information of the Compound
| Compound ID |
CP0366754
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| Compound Name |
ethyl 5-(1,3-dihydroisoindole-2-carbonyl)-2,4-dihydroxybenzoate
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| Structure |
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| Formula |
C18H17NO5
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| Molecular Weight |
327.336
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| Canonical SMILES |
CCOC(=O)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O
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| InChI |
InChI=1S/C18H17NO5/c1-2-24-18(23)14-7-13(15(20)8-16(14)21)17(22)19-9-11-5-3-4-6-12(11)10-19/h3-8,20-21H,2,9-10H2,1H3
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| InChIKey |
MLQMUAZSWNRVBH-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