General Information of the Compound
| Compound ID |
CP0503018
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| Compound Name |
1-[1-[[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)-3-methylphenyl]methyl]cyclopropyl]-3-(2-methoxyphenyl)sulfonylurea
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| Structure |
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| Formula |
C35H37N3O7S
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| Molecular Weight |
643.762
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccccc2OC)cc1C
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| InChI |
InChI=1S/C35H37N3O7S/c1-5-44-31-24-11-7-8-12-25(24)32(45-6-2)30-26(31)21-38(33(30)39)27-16-15-23(19-22(27)3)20-35(17-18-35)36-34(40)37-46(41,42)29-14-10-9-13-28(29)43-4/h7-16,19H,5-6,17-18,20-21H2,1-4H3,(H2,36,37,40)
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| InChIKey |
XENJXGHXECYFJQ-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