General Information of the Compound
| Compound ID |
CP0489996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[4-(5-ethylsulfonyl-2-methoxyanilino)triazol-1-yl]-2-naphthalen-1-ylphenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
542.621
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2ccc(NC(N)=O)c(c2)-c2cccc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26N6O4S/c1-3-39(36,37)20-12-14-26(38-2)25(16-20)30-27-17-34(33-32-27)19-11-13-24(31-28(29)35)23(15-19)22-10-6-8-18-7-4-5-9-21(18)22/h4-17,30H,3H2,1-2H3,(H3,29,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FYRQMZXGASEEOK-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