Molecule card · MolClass #1743
Amprolium hydrochloride
Amprolium hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Amprolium hydrochlorideFlucanozole Synergizer · compound_name56463653Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 1743
- InChIKey
- IPZFPROOBOUEIG-UHFFFAOYSA-N
- Canonical SMILES
- CCCc2ncc(C[n+]1ccccc1(C))c(N)n2
- Standard InChI
- InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1
- Stored Murcko scaffold
- n1cncc(c1)C[n+]2ccccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.01
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Flucanozole Synergizer
Dataset #3 · Amprolium hydrochloride
Antifungal Pump Inhibitors
Dataset #18 · 56463653