General Information of the Compound
| Compound ID |
CP0569274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclopentyl-[4-[2-[[4-(diethylamino)phenyl]methylamino]-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H54N10O
|
||||||||||||||||||
| Molecular Weight |
630.886
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1ccc(CNc2nc(N3CCN(CC3)C(=O)C3CCCC3)c3ncn(CCCN4CCN(CC)CC4)c3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H54N10O/c1-4-40-18-20-41(21-19-40)16-9-17-45-27-37-31-32(43-22-24-44(25-23-43)34(46)29-10-7-8-11-29)38-35(39-33(31)45)36-26-28-12-14-30(15-13-28)42(5-2)6-3/h12-15,27,29H,4-11,16-26H2,1-3H3,(H,36,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWPOIKRXSJEJCM-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
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9