General Information of the Compound
| Compound ID |
CP0225226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(5-chloro-1,3-benzodioxol-4-yl)-4-N-methyl-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClN4O4S
|
||||||||||||||||||
| Molecular Weight |
432.889
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17ClN4O4S/c1-24(17-14(20)6-7-15-18(17)28-11-27-15)16-8-9-21-19(23-16)22-12-4-3-5-13(10-12)29(2,25)26/h3-10H,11H2,1-2H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPLVGQXSWQPIQO-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