General Information of the Compound
| Compound ID |
CP0547759
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-N-[5-(4-cyclopropylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Formula |
C23H23ClF3N7
|
||||||||||||||||||
| Molecular Weight |
489.933
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nc(Nc3ccc(cn3)N3CCN(CC3)C3CC3)ncc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23ClF3N7/c24-19-14-29-22(32-21(19)30-16-3-1-2-15(12-16)23(25,26)27)31-20-7-6-18(13-28-20)34-10-8-33(9-11-34)17-4-5-17/h1-3,6-7,12-14,17H,4-5,8-11H2,(H2,28,29,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQBJTPXARACKIP-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