General Information of the Compound
| Compound ID |
CP0859644
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-amino-9-[[1-(2-hydroxyethyl)-4-piperidyl]methyl]-2-[(1S)-1-methylbutoxy]-7H-purin-8-one Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H31ClN6O3
|
||||||||||||||||||
| Molecular Weight |
414.938
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CC3CCN(CCO)CC3)c2n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H30N6O3.ClH/c1-3-4-12(2)27-17-21-15(19)14-16(22-17)24(18(26)20-14)11-13-5-7-23(8-6-13)9-10-25;/h12-13,25H,3-11H2,1-2H3,(H,20,26)(H2,19,21,22);1H/t12-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGOALCVOHPKQSO-YDALLXLXSA-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: PT02160, Toll-like receptor 7
Protein ID: PT02546, Toll-like receptor 8