Molecule card · MolClass #32386
26660504
26660504: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 26660504Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 32386
- InChIKey
- HROPZYQYIOPHNL-UHFFFAOYSA-N
- Canonical SMILES
- O=C1c4cccc(c4(N=C2c3ccccc3(CN12)))Cl
- Standard InChI
- InChI=1S/C15H9ClN2O/c16-12-7-3-6-11-13(12)17-14-10-5-2-1-4-9(10)8-18(14)15(11)19/h1-7H,8H2
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N3C1c4ccccc4C3
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.
- 67199-66-0#9047
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.698 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.102
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 26660504