General Information of the Compound
| Compound ID |
CP0553554
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[[4-cyclohexyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenol
Show/Hide
|
||||||||||||||||||
| Formula |
C18H20F3N3O
|
||||||||||||||||||
| Molecular Weight |
351.372
|
||||||||||||||||||
| Canonical SMILES |
Oc1cccc(CNc2nc(cc(n2)C(F)(F)F)C2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20F3N3O/c19-18(20,21)16-10-15(13-6-2-1-3-7-13)23-17(24-16)22-11-12-5-4-8-14(25)9-12/h4-5,8-10,13,25H,1-3,6-7,11H2,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATBMDYAQUWUIIO-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