General Information of the Compound
| Compound ID |
CP0127579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(2,3-dihydro-1-benzofuran-7-yl)-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O3S
|
||||||||||||||||||
| Molecular Weight |
382.445
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAUBUHQKFKUNIZ-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