L-168,049   Click here for help

GtoPdb Ligand ID: 3505

Synonyms: L 168049 | L-168049 | L168049
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.91
Molecular weight 466.04
XLogP 7.45
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br
Isomeric SMILES CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br
InChI InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3
InChI Key HHBOWXZOLYQFNY-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
Synonyms Click here for help
L 168049 | L-168049 | L168049
Database Links Click here for help
CAS Registry No. 191034-25-0 (source: Scifinder)
ChEMBL Ligand CHEMBL351772
GtoPdb PubChem SID 178100492
PubChem CID 5311276
Search Google for chemical match using the InChIKey HHBOWXZOLYQFNY-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey HHBOWXZOLYQFNY-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HHBOWXZOLYQFNY-UHFFFAOYSA-N

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Tocris
L-168,049
Cat. No. 2311