General Information of the Compound
| Compound ID |
CP0422464
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| Compound Name |
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-phenoxyacetamide
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| Structure |
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| Formula |
C31H30N2O7S
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| Molecular Weight |
574.655
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)COc2ccccc2)cc1
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| InChI |
InChI=1S/C31H30N2O7S/c1-3-38-29-24-12-8-9-13-25(24)30(39-4-2)28-26(29)18-33(31(28)35)22-16-14-21(15-17-22)20-41(36,37)32-27(34)19-40-23-10-6-5-7-11-23/h5-17H,3-4,18-20H2,1-2H3,(H,32,34)
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| InChIKey |
ZQIMURZDOWNRFP-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