GS9667   

GtoPdb Ligand ID: 5593

Synonyms: CVT-3619 | GS-9667
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 150.85
Molecular weight 461.15
XLogP 2.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC1C(O)C(OC1n1cnc2c1ncnc2NC1CCCC1O)CSc1ccccc1F
Isomeric SMILES O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N[C@@H]1CCC[C@H]1O)CSc1ccccc1F
InChI InChI=1S/C21H24FN5O4S/c22-11-4-1-2-7-15(11)32-8-14-17(29)18(30)21(31-14)27-10-25-16-19(23-9-24-20(16)27)26-12-5-3-6-13(12)28/h1-2,4,7,9-10,12-14,17-18,21,28-30H,3,5-6,8H2,(H,23,24,26)/t12-,13-,14-,17-,18-,21-/m1/s1
InChI Key IZRXENCTXNMAMI-DIJFLQFKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-2-[(2-fluorophenyl)sulfanylmethyl]-5-[6-[[(1R,2R)-2-hydroxycyclopentyl]amino]purin-9-yl]oxolane-3,4-diol
Synonyms
CVT-3619 | GS-9667
Database Links
CAS Registry No. 618380-90-8 (source: Scifinder)
GtoPdb PubChem SID 178102228
PubChem CID 11561692
Search Google for chemical match using the InChIKey IZRXENCTXNMAMI-DIJFLQFKSA-N
Search Google for chemicals with the same backbone IZRXENCTXNMAMI
Search UniChem for chemical match using the InChIKey IZRXENCTXNMAMI-DIJFLQFKSA-N
Search UniChem for chemicals with the same backbone IZRXENCTXNMAMI