General Information of the Compound
| Compound ID |
CP0560476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[3-[4-(2H-tetrazol-5-yl)phenoxy]propyl]purin-6-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C15H15N9O
|
||||||||||||||||||
| Molecular Weight |
337.347
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n(CCCOc3ccc(cc3)-c3nnn[nH]3)cnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15N9O/c16-13-12-15(18-8-17-13)24(9-19-12)6-1-7-25-11-4-2-10(3-5-11)14-20-22-23-21-14/h2-5,8-9H,1,6-7H2,(H2,16,17,18)(H,20,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YAXOKWCPGVZKDQ-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 | |||||||||||||||||||
| 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