CVT-6883   Click here for help

GtoPdb Ligand ID: 5615

Synonyms: CVT 6883 | CVT6883
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
CVT 6883 | CVT6883
Database Links Click here for help
Specialist databases
GPCRdb Ligand CVT-6883
Other databases
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
UniChem Compound Search for chemical match using the InChIKey KOYXXLLNCXWUNF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KOYXXLLNCXWUNF-UHFFFAOYSA-N

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Cat. No. 4727