General Information of the Compound
| Compound ID |
CP0404920
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| Compound Name |
N-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]methylsulfonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
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| Structure |
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| Formula |
C34H34N2O6S
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| Molecular Weight |
598.721
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CS(=O)(=O)NC(=O)C2CCCc3ccccc23)cc1
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| InChI |
InChI=1S/C34H34N2O6S/c1-3-41-31-26-13-7-8-14-27(26)32(42-4-2)30-29(31)20-36(34(30)38)24-18-16-22(17-19-24)21-43(39,40)35-33(37)28-15-9-11-23-10-5-6-12-25(23)28/h5-8,10,12-14,16-19,28H,3-4,9,11,15,20-21H2,1-2H3,(H,35,37)
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| InChIKey |
DCZJGEJARRDOEK-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