General Information of the Compound
| Compound ID |
CP0396027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N4O5S3
|
||||||||||||||||||
| Molecular Weight |
530.653
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(c1)S(=O)(=O)n1c(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N4O5S3/c1-15-11-16(2)13-19(12-15)35(31,32)27-21-6-4-3-5-20(21)26-23(27)33-14-22(28)25-17-7-9-18(10-8-17)34(24,29)30/h3-13H,14H2,1-2H3,(H,25,28)(H2,24,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQPHCFHWXAYPSB-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
Protein ID: PT00005, Reverse transcriptase/RNaseH