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minoxidil   Click here for help

GtoPdb Ligand ID: 4254

Synonyms: Rogaine®
Approved drug PDB Ligand
minoxidil is an approved drug (FDA (1979))
Compound class: Synthetic organic
Comment: The structure shown here is the same as the INN-assigned structure for this compound. The charges represent the movement of electrons towards the oxygen atom. Our representation of the structure is different to that shown on PubChem, where the molecule is shown without the charges.
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View more information in the IUPHAR Pharmacology Education Project: minoxidil

2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 95.11
Molecular weight 209.13
XLogP 2.9
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
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Canonical SMILES Nc1cc(nc([n+]1[O-])N)N1CCCCC1
Isomeric SMILES Nc1cc(nc([n+]1[O-])N)N1CCCCC1
InChI InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6H,1-5,10H2,(H2,11,12)
InChI Key ZFMITUMMTDLWHR-UHFFFAOYSA-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/)

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