[3H]DPCPX   

GtoPdb Ligand ID: 406

Synonyms: [3H]-DPCPX
   
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 C([3H])CC(n1c2nc([nH]c2c(=O)n(c1=O)C(CC[3H])[3H])C1CCCC1)[3H]
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)/i1T,2T,9T,10T
InChI Key FFBDFADSZUINTG-LEZITTIZSA-N
Classification
Compound class Synthetic organic
IUPAC Name
8-cyclopentyl-1,3-bis(1,3-ditritiopropyl)-7H-purine-2,6-dione
Synonyms
[3H]-DPCPX
Database Links
ChEMBL Ligand CHEMBL1628611
GtoPdb PubChem SID 135651150
PubChem CID 53319341
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