[3H]L158809   Click here for help

GtoPdb Ligand ID: 3939

Synonyms: [3H]-L158809 | [3H]L-158,809
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 85.17
Molecular weight 409.2
XLogP 6.11
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)nc(cc2C)C
Isomeric SMILES CCc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1[nH]nnn1)nc(cc2C)C
InChI InChI=1S/C24H23N7/c1-4-21-26-22-15(2)13-16(3)25-24(22)31(21)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)23-27-29-30-28-23/h5-13H,4,14H2,1-3H3,(H,27,28,29,30)
InChI Key YFWXFHNZGKNDBC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-ethyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[5,4-b]pyridine
Synonyms Click here for help
[3H]-L158809 | [3H]L-158,809
Database Links Click here for help
ChEMBL Ligand CHEMBL7550
GtoPdb PubChem SID 178100767
PubChem CID 183134
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