TCPOBOP   Click here for help

GtoPdb Ligand ID: 2756

Synonyms:  1,4-BDPOB
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 44.24
Molecular weight 399.93
XLogP 6.42
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl
Isomeric SMILES Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl
InChI InChI=1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
InChI Key BAFKRPOFIYPKBQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine
Synonyms Click here for help
1,4-BDPOB
Database Links Click here for help
CAS Registry No. 76150-91-9 (source: Scifinder)
ChEMBL Ligand CHEMBL488803
GtoPdb PubChem SID 135651237
PubChem CID 5382
RCSB PDB Ligand TCD
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UniChem Compound Search for chemical match using the InChIKey BAFKRPOFIYPKBQ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BAFKRPOFIYPKBQ-UHFFFAOYSA-N

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Tocris
TCPOBOP
Cat. No. 1225