General Information of the Compound
| Compound ID |
CP0492495
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-Chloro-2-methyl-phenyl)-N*4*-(4-trifluoromethyl-phenyl)-pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14ClF3N4
|
||||||||||||||||||
| Molecular Weight |
378.785
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)cc1-c1cc(Nc2ccc(cc2)C(F)(F)F)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14ClF3N4/c1-10-2-5-12(19)8-14(10)15-9-16(26-17(23)25-15)24-13-6-3-11(4-7-13)18(20,21)22/h2-9H,1H3,(H3,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHGZTJJXZVYRMV-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