General Information of the Compound
| Compound ID |
CP0550302
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-cyclopentyl-2-morpholin-4-yl-N-[4-(morpholin-4-ylmethyl)phenyl]purin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33N7O2
|
||||||||||||||||||
| Molecular Weight |
463.586
|
||||||||||||||||||
| Canonical SMILES |
C(N1CCOCC1)c1ccc(Nc2nc(nc3n(cnc23)C2CCCC2)N2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33N7O2/c1-2-4-21(3-1)32-18-26-22-23(28-25(29-24(22)32)31-11-15-34-16-12-31)27-20-7-5-19(6-8-20)17-30-9-13-33-14-10-30/h5-8,18,21H,1-4,9-17H2,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQSOOYPNWTUJBB-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