General Information of the Compound
| Compound ID |
CP0509338
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-chloro-5-methylphenyl)-10-(3,4-dimethylphenyl)sulfonyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClN5O2S2
|
||||||||||||||||||
| Molecular Weight |
484.006
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(Cl)cc(Nc2nc3c(nnn3c3ccsc23)S(=O)(=O)c2ccc(C)c(C)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClN5O2S2/c1-12-8-15(23)11-16(9-12)24-20-19-18(6-7-31-19)28-21(25-20)22(26-27-28)32(29,30)17-5-4-13(2)14(3)10-17/h4-11H,1-3H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMWBZWKKYWBRFA-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