General Information of the Compound
| Compound ID |
CP0572795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[5-chloro-2-(4,4-difluoro-3-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClF2N6O3
|
||||||||||||||||||
| Molecular Weight |
496.946
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccc(Nc3nc(ncc3Cl)N3CCC(F)(F)C(O)C3)cc2n(CCC(C)(C)O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClF2N6O3/c1-21(2,34)6-9-31-16-10-13(4-5-15(16)29(3)20(31)33)27-18-14(23)11-26-19(28-18)30-8-7-22(24,25)17(32)12-30/h4-5,10-11,17,32,34H,6-9,12H2,1-3H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUBBGJWQRZERCH-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 | |||||||||||||||||||
| PubChem 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