CV-1808   

GtoPdb Ligand ID: 420

Synonyms: 2-phenylaminoadenosine | CV 1808 | CV1808
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 151.57
Molecular weight 358.14
XLogP 0.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(Nc1ccccc1)nc2N
Isomeric SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Nc1ccccc1)nc2N
InChI InChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
InChI Key SCNILGOVBBRMBK-SDBHATRESA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2R,3R,4S,5R)-2-[6-amino-2-(phenylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms
2-phenylaminoadenosine | CV 1808 | CV1808
Database Links
CAS Registry No. 53296-10-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1256672
GtoPdb PubChem SID 135650141
PubChem CID 6917803
Search Google for chemical match using the InChIKey SCNILGOVBBRMBK-SDBHATRESA-N
Search Google for chemicals with the same backbone SCNILGOVBBRMBK
Search UniChem for chemical match using the InChIKey SCNILGOVBBRMBK-SDBHATRESA-N
Search UniChem for chemicals with the same backbone SCNILGOVBBRMBK

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Tocris
CV 1808
Cat. No. 1710