General Information of the Compound
| Compound ID |
CP0922794
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(5-Chloro-2-((S)-1-(5-fluoropyridin-2-yl)ethylamino)-6-(5-isopropoxy-1H-pyrazol-3-ylamino)pyrimidin-4-ylamino)propane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26ClFN8O3
|
||||||||||||||||||
| Molecular Weight |
480.932
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc(NC[C@@H](O)CO)c2Cl)n[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26ClFN8O3/c1-10(2)33-16-6-15(29-30-16)26-19-17(21)18(24-8-13(32)9-31)27-20(28-19)25-11(3)14-5-4-12(22)7-23-14/h4-7,10-11,13,31-32H,8-9H2,1-3H3,(H4,24,25,26,27,28,29,30)/t11-,13+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDHJVOBBPHLDFD-WCQYABFASA-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 | |||||||||||||||||||
| 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