General Information of the Compound
| Compound ID |
CP0509884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-N-[(2,4-dichlorophenyl)methyl]-2-N-[5-(diethylamino)pentan-2-yl]-7-ethylpurine-2,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H33Cl2N7
|
||||||||||||||||||
| Molecular Weight |
478.472
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2n(CC)cnc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33Cl2N7/c1-5-31(6-2)12-8-9-16(4)28-23-29-21(20-22(30-23)27-15-32(20)7-3)26-14-17-10-11-18(24)13-19(17)25/h10-11,13,15-16H,5-9,12,14H2,1-4H3,(H2,26,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYJYDKPVBKOMAV-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