CVT-6883   

GtoPdb Ligand ID: 5615

Synonyms: CVT 6883 | CVT6883
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 90.5
Molecular weight 446.17
XLogP 5.4
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F
Isomeric SMILES CCCn1c(=O)c2nc([nH]c2n(c1=O)CC)c1cnn(c1)Cc1cccc(c1)C(F)(F)F
InChI InChI=1S/C21H21F3N6O2/c1-3-8-30-19(31)16-18(29(4-2)20(30)32)27-17(26-16)14-10-25-28(12-14)11-13-6-5-7-15(9-13)21(22,23)24/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,26,27)
InChI Key KOYXXLLNCXWUNF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7H-purine-2,6-dione
Synonyms
CVT 6883 | CVT6883
Database Links
CAS Registry No. 752222-83-6 (source: SciFinder)
ChEMBL Ligand CHEMBL260933
GtoPdb PubChem SID 178102249
PubChem CID 11270783
Search Google for chemical match using the InChIKey KOYXXLLNCXWUNF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KOYXXLLNCXWUNF
Search UniChem for chemical match using the InChIKey KOYXXLLNCXWUNF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KOYXXLLNCXWUNF

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Tocris
GS 6201
Cat. No. 4727