imidapril   

GtoPdb Ligand ID: 6377

Synonyms: imidapril hydrochloride
imidapril is an approved drug
Compound class: Synthetic organic
Comment: Imidapril is an ACE inhibitor, administered as a prodrug which is then metabolised to the active form, imidaprilat.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 116.25
Molecular weight 405.19
XLogP 1.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCOC(=O)C(NC(C(=O)N1C(=O)N(CC1C(=O)O)C)C)CCc1ccccc1
Isomeric SMILES CCOC(=O)[C@@H](N[C@H](C(=O)N1C(=O)N(C[C@H]1C(=O)O)C)C)CCc1ccccc1
InChI InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1
InChI Key KLZWOWYOHUKJIG-BPUTZDHNSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel