General Information of the Compound
| Compound ID |
CP0342840
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(5-chloro-1,3-benzodioxol-4-yl)-4-N-(2-methoxyethyl)-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN4O5S
|
||||||||||||||||||
| Molecular Weight |
476.942
|
||||||||||||||||||
| Canonical SMILES |
COCCN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN4O5S/c1-29-11-10-26(19-16(22)6-7-17-20(19)31-13-30-17)18-8-9-23-21(25-18)24-14-4-3-5-15(12-14)32(2,27)28/h3-9,12H,10-11,13H2,1-2H3,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBGCOTWVZIWEKM-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