Molecule card · MolClass #32225
24820518
24820518: 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
- 24820518Antifungal Pump Inhibitors · compound_name24820518Mitochondrial Fusion · compound_name
- MolClass ID
- 32225
- InChIKey
- SKWKKARKERSUIB-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1cc(no1)c2ncc(cc2Cl)C(F)(F)F)Cl
- Standard InChI
- InChI=1S/C11H7Cl2F3N2O/c1-5(12)9-3-8(18-19-9)10-7(13)2-6(4-17-10)11(14,15)16/h2-5H,1H3
- Stored Murcko scaffold
- n1occc1-c2ncccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.088 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.752
- 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 · 24820518
Mitochondrial Fusion
Dataset #19 · 24820518