L-750,667   Click here for help

GtoPdb Ligand ID: 978

Synonyms: L-750667 | L750667 | Lopac-L-133
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 35.16
Molecular weight 418.07
XLogP 4.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2
Isomeric SMILES Ic1ccc(cc1)N1CCN(CC1)Cc1c[nH]c2c1cccn2
InChI InChI=1S/C18H19IN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
InChI Key OOEUHRGMLFVKQO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[[4-(4-iodophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Synonyms Click here for help
L-750667 | L750667 | Lopac-L-133
Database Links Click here for help
BindingDB Ligand 50050465
CAS Registry No. 158985-08-1 (source: Scifinder)
ChEMBL Ligand CHEMBL60518
GtoPdb PubChem SID 135650488
PubChem CID 6603897
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