General Information of the Compound
| Compound ID |
CP0482748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[9-cyclopentyl-6-[4-(1,3-thiazol-2-yloxy)anilino]purin-2-yl]amino]propan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N7O2S
|
||||||||||||||||||
| Molecular Weight |
451.556
|
||||||||||||||||||
| Canonical SMILES |
OCCCNc1nc(Nc2ccc(Oc3nccs3)cc2)c2ncn(C3CCCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N7O2S/c30-12-3-10-23-21-27-19(18-20(28-21)29(14-25-18)16-4-1-2-5-16)26-15-6-8-17(9-7-15)31-22-24-11-13-32-22/h6-9,11,13-14,16,30H,1-5,10,12H2,(H2,23,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDZJXQYJXNIGMG-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 | |||||||||||||||||||
| 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
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Cell Viability or Cytotoxicity Assay