UCM 549   Click here for help

GtoPdb Ligand ID: 7772

Synonyms: UCM-549 | UCM549
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 1
Rotatable bonds 4
Topological polar surface area 38.33
Molecular weight 295.16
XLogP 3.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1
Isomeric SMILES COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1
InChI InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)
InChI Key PQZZGTZTKGECDT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
UCM-549 | UCM549
Database Links Click here for help
CAS Registry No. 753502-19-1 (source: Scifinder)
ChEMBL Ligand CHEMBL189449
GtoPdb PubChem SID 223366105
PubChem CID 11185529
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