Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3L6SV
|
|||
| Ligand Name |
8-Benzo[1,3]dioxol-,5-ylmethyl-9-butyl-2-fluoro-9H-purin-6-ylamine
|
|||
| Synonyms |
8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE; CHEMBL109822; PUX; 1uyk; Purine-Based Inhibitor 12; SCHEMBL4995520; BDBM15385; DB04254; Q27095076; 8-(1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine; 2-Fluoro-8-(1,3-benzodioxole-5-ylmethyl)-9-butyl-9H-purine-6-amine; 8-(2H-1,3-benzodioxol-5-ylmethyl)-9-butyl-2-fluoro-9H-purin-6-amine
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C17H18FN5O2
|
|||
| Canonical SMILES |
CCCCN1C(=NC2=C(N=C(N=C21)F)N)CC3=CC4=C(C=C3)OCO4
|
|||
| InChI |
1S/C17H18FN5O2/c1-2-3-6-23-13(20-14-15(19)21-17(18)22-16(14)23)8-10-4-5-11-12(7-10)25-9-24-11/h4-5,7H,2-3,6,8-9H2,1H3,(H2,19,21,22)
|
|||
| InChIKey |
ARWHTQLGMWHTAZ-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.