General Information of the Compound
| Compound ID |
CP0393736
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| Compound Name |
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-2,2-diphenylacetamide
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| Structure |
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| Formula |
C37H34N2O6S
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| Molecular Weight |
634.754
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C37H34N2O6S/c1-3-44-34-29-17-11-12-18-30(29)35(45-4-2)33-31(34)23-39(37(33)41)28-21-19-25(20-22-28)24-46(42,43)38-36(40)32(26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-22,32H,3-4,23-24H2,1-2H3,(H,38,40)
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| InChIKey |
RSDZJFIZACEOJA-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