H87/07   Click here for help

GtoPdb Ligand ID: 542

Synonyms: H 87-07
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 2
Rotatable bonds 10
Topological polar surface area 59.95
Molecular weight 283.18
XLogP 1.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COCCOc1ccc(cc1)OCC(CNC(C)C)O
Isomeric SMILES COCCOc1ccc(cc1)OCC(CNC(C)C)O
InChI InChI=1S/C15H25NO4/c1-12(2)16-10-13(17)11-20-15-6-4-14(5-7-15)19-9-8-18-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChI Key FGAPARDHTDKREN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-(2-methoxyethoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Synonyms Click here for help
H 87-07
Database Links Click here for help
CAS Registry No. 30311-37-6 (source: Scifinder)
ChEMBL Ligand CHEMBL142773
GtoPdb PubChem SID 135650344
PubChem CID 193122
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