General Information of the Compound
| Compound ID |
CP0490023
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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-[4-(trifluoromethoxy)phenyl]sulfonylurea
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| Structure |
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| Formula |
C35H34F3N3O7S
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| Molecular Weight |
697.732
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1C
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| InChI |
InChI=1S/C35H34F3N3O7S/c1-4-46-30-25-8-6-7-9-26(25)31(47-5-2)29-27(30)20-41(32(29)42)28-15-10-22(18-21(28)3)19-34(16-17-34)39-33(43)40-49(44,45)24-13-11-23(12-14-24)48-35(36,37)38/h6-15,18H,4-5,16-17,19-20H2,1-3H3,(H2,39,40,43)
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| InChIKey |
DYGGLTHCDZQEGP-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