General Information of the Compound
| Compound ID |
CP0176739
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21ClF3N5O
|
||||||||||||||||||
| Molecular Weight |
463.891
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3cccc(c3)C(F)(F)F)n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClF3N5O/c1-30-9-11-31(12-10-30)17-7-5-16(6-8-17)28-21-27-14-19(23)20(29-21)32-18-4-2-3-15(13-18)22(24,25)26/h2-8,13-14H,9-12H2,1H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROMPEXMBODHHSH-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