DPCPX   

GtoPdb Ligand ID: 386

Synonyms: 1,3-DPCPX | 8-cyclopentyl-1,3-dipropylxanthine | GNF-Pf-2224
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 72.68
Molecular weight 304.19
XLogP 4.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1
Isomeric SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)C1CCCC1
InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChI Key FFBDFADSZUINTG-UHFFFAOYSA-N