Molecule card · MolClass #26676
24829175
24829175: 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
- 24829175Antifungal Pump Inhibitors · compound_name24829175Mitochondrial Fusion · compound_name
- MolClass ID
- 26676
- InChIKey
- CJEWTGRSNCCLKG-UHFFFAOYSA-O
- Canonical SMILES
- Cc2csc(Nc1ccc(cc1)Cl)[n+]2c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C16H12Cl2N2S/c1-11-10-21-16(19-14-6-2-12(17)3-7-14)20(11)15-8-4-13(18)5-9-15/h2-10H,1H3/p+1
- Stored Murcko scaffold
- s1cc[n+](-c2ccccc2)c1Nc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.26 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.29
- 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 · 24829175
Mitochondrial Fusion
Dataset #19 · 24829175