General Information of the Compound
| Compound ID |
CP0459038
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| Compound Name |
2,6-dichloro-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide
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| Structure |
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| Formula |
C34H33Cl2N3O6S
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| Molecular Weight |
682.626
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| Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C
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| InChI |
InChI=1S/C34H33Cl2N3O6S/c1-4-44-29-22-9-6-7-10-23(22)30(45-5-2)28-24(29)19-39(32(28)40)27-14-13-21(17-20(27)3)18-34(15-16-34)37-33(41)38-46(42,43)31-25(35)11-8-12-26(31)36/h6-14,17H,4-5,15-16,18-19H2,1-3H3,(H2,37,38,41)
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| InChIKey |
PSHRSSJDIYJFKV-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