General Information of the Compound
| Compound ID |
CP0396029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[[2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetyl]amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23N3O5S2
|
||||||||||||||||||
| Molecular Weight |
509.609
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2cc(C)cc(C)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23N3O5S2/c1-16-12-17(2)14-20(13-16)35(31,32)28-22-7-5-4-6-21(22)27-25(28)34-15-23(29)26-19-10-8-18(9-11-19)24(30)33-3/h4-14H,15H2,1-3H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MYUFPZANAUANOU-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