ethylisopropylamiloride   

GtoPdb Ligand ID: 4186

Abbreviated name: EIPA
Synonyms: 5-(N-Ethyl-N-isopropyl)amiloride
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 136.51
Molecular weight 299.13
XLogP 1.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C
Isomeric SMILES CCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C(C)C
InChI InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChI Key QDERNBXNXJCIQK-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel