General Information of the Compound
Compound ID |
CP0499458
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2,6-dimethyl-N-(1-(4-(4,9-diethoxy-1-oxo-1H-benzo[f]isoindol-2(3H)-yl)-3-methylbenzyl)cyclopropylcarbamoyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C36H39N3O6S
|
||||||||||||||||||
Molecular Weight |
641.79
|
||||||||||||||||||
Canonical SMILES |
CCOc1c2CN(C(=O)c2c(OCC)c2ccccc12)c1ccc(CC2(CC2)NC(=O)NS(=O)(=O)c2c(C)cccc2C)cc1C
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C36H39N3O6S/c1-6-44-31-26-13-8-9-14-27(26)32(45-7-2)30-28(31)21-39(34(30)40)29-16-15-25(19-24(29)5)20-36(17-18-36)37-35(41)38-46(42,43)33-22(3)11-10-12-23(33)4/h8-16,19H,6-7,17-18,20-21H2,1-5H3,(H2,37,38,41)
Show/Hide
|
||||||||||||||||||
InChIKey |
BHZQADXHKGWFSX-UHFFFAOYSA-N
|
||||||||||||||||||
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
|
||||||||||||||||||
Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
PubChem ID | |||||||||||||||||||
ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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 |
|
---|
Table of Molecular Bioactivities Related to the Compound