imidapril

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Ligands
imidapril

GtoPdb Ligand ID: 6377

Synonyms: imidapril hydrochloride

imidapril is an approved drug

Comment: Imidapril is an ACE inhibitor, administered as a prodrug which is then metabolised to the active form, imidaprilat.

imidapril is commercially available from our sponsors

2D Structure

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)