KF26777   Click here for help

GtoPdb Ligand ID: 5618

Synonyms: KF 26777
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 67.97
Molecular weight 373.05
XLogP 4.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br
Isomeric SMILES CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br
InChI InChI=1S/C16H16BrN5O/c1-2-8-21-15-12(14-18-7-9-22(14)16(21)23)19-13(20-15)10-3-5-11(17)6-4-10/h3-6H,2,7-9H2,1H3,(H,19,20)
InChI Key GYGNZJDWTHECQT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-bromophenyl)-4-propyl-7,8-dihydro-1H-imidazo[2,1-f]purin-5-one
Synonyms Click here for help
KF 26777
Database Links Click here for help
CAS Registry No. 206129-88-6 (source: Scifinder)
ChEMBL Ligand CHEMBL2181965
GtoPdb PubChem SID 178102252
PubChem CID 9820916
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