Molecule card · MolClass #26372
22403125
22403125: 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
- 22403125Antifungal Pump Inhibitors · compound_name22403125Mitochondrial Fusion · compound_name
- MolClass ID
- 26372
- InChIKey
- ZLCXKDYXSQYNRL-UHFFFAOYSA-N
- Canonical SMILES
- CN2CC3(C)(OC(=O)C(=C3(CC2(c1ccccc1)))Cl)
- Standard InChI
- InChI=1S/C15H16ClNO2/c1-15-9-17(2)12(10-6-4-3-5-7-10)8-11(15)13(16)14(18)19-15/h3-7,12H,8-9H2,1-2H3
- Stored Murcko scaffold
- O1[CH]C=C2CC(NCC12)c3ccccc3
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.
No other molecules currently have this stored scaffold.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.747 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.235
- 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 · 22403125
Mitochondrial Fusion
Dataset #19 · 22403125