imbutamine   Click here for help

GtoPdb Ligand ID: 1249

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 2
Rotatable bonds 4
Topological polar surface area 54.7
Molecular weight 139.11
XLogP -0.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NCCCCc1cnc[nH]1
Isomeric SMILES NCCCCc1cnc[nH]1
InChI InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)
InChI Key VJSUMPPMFYQOMP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(3H-imidazol-4-yl)butan-1-amine
Database Links Click here for help
BindingDB Ligand 22907
CAS Registry No. 40546-47-2 (source: Scifinder)
ChEMBL Ligand CHEMBL90019
GtoPdb PubChem SID 135650379
PubChem CID 13499360
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