General Information of the Compound
| Compound ID |
CP0278696
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-N-pyridin-4-yl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Formula |
C16H11ClF3N5
|
||||||||||||||||||
| Molecular Weight |
365.746
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccncc3)ncc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11ClF3N5/c17-13-9-22-15(24-11-4-6-21-7-5-11)25-14(13)23-12-3-1-2-10(8-12)16(18,19)20/h1-9H,(H2,21,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSNSWGWISOBVIP-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 | |||||||||||||||||||
| 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