General Information of the Compound
| Compound ID |
CP0564911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-N-(trifluoromethyl)pyrimidin-4-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C21H30F3N7O4S
|
||||||||||||||||||
| Molecular Weight |
533.577
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC1)N(c1cc(OC2CCN(CC2)S(C)(=O)=O)ncn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H30F3N7O4S/c1-14(2)19-27-20(35-28-19)29-8-4-15(5-9-29)31(21(22,23)24)17-12-18(26-13-25-17)34-16-6-10-30(11-7-16)36(3,32)33/h12-16H,4-11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LPLPNJWCCCXUQU-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