General Information of the Compound
| Compound ID |
CP0530786
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| Compound Name |
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2-(3-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C32H32N2O7S
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| Molecular Weight |
588.682
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)Cc2cccc(OC)c2)cc1
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| InChI |
InChI=1S/C32H32N2O7S/c1-4-40-30-25-11-6-7-12-26(25)31(41-5-2)29-27(30)19-34(32(29)36)23-15-13-21(14-16-23)20-42(37,38)33-28(35)18-22-9-8-10-24(17-22)39-3/h6-17H,4-5,18-20H2,1-3H3,(H,33,35)
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| InChIKey |
DPUOBUZSPKPOCI-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