Ro20-1724   Click here for help

GtoPdb Ligand ID: 5258

Synonyms: RO-201724
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 7
Topological polar surface area 59.59
Molecular weight 278.16
XLogP 1.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCOc1cc(ccc1OC)CC1CNC(=O)N1
Isomeric SMILES CCCCOc1cc(ccc1OC)CC1CNC(=O)N1
InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
InChI Key PDMUULPVBYQBBK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one
Synonyms Click here for help
RO-201724
Database Links Click here for help
CAS Registry No. 29925-17-5
ChEMBL Ligand CHEMBL18701
GtoPdb PubChem SID 178101942
PubChem CID 5087
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SynPHARM 13762 (in complex with phosphodiesterase 4A)
13768 (in complex with phosphodiesterase 4D)
Wikipedia Ro20-1724

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Tocris
Ro 20-1724
Cat. No. 0415