CV-1674   Click here for help

GtoPdb Ligand ID: 419

Synonyms: 2-(4-methoxyphenyl)adenosine | CV 1674 | CV1674 | NSC 310669
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 148.77
Molecular weight 373.14
XLogP 0.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)OC
Isomeric SMILES OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)OC
InChI InChI=1S/C17H19N5O5/c1-26-9-4-2-8(3-5-9)15-20-14(18)11-16(21-15)22(7-19-11)17-13(25)12(24)10(6-23)27-17/h2-5,7,10,12-13,17,23-25H,6H2,1H3,(H2,18,20,21)
InChI Key VKSRAKNPXOTFAX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[6-amino-2-(4-methoxyphenyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Synonyms Click here for help
2-(4-methoxyphenyl)adenosine | CV 1674 | CV1674 | NSC 310669
Database Links Click here for help
BindingDB Ligand 50018263
CAS Registry No. 37151-17-0
ChEMBL Ligand CHEMBL298235
GtoPdb PubChem SID 135650140
PubChem CID 100022
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