Molecule card · MolClass #49084
24825495
24825495: 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
- 24825495Mitochondrial Fusion · compound_name
- MolClass ID
- 49084
- InChIKey
- YXJCCUDLKQASBD-UHFFFAOYSA-O
- Canonical SMILES
- Cc4ccccc4(Nc2[n+](c1ccccc1(C))c(cs2)c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C23H19ClN2S/c1-16-7-3-5-9-20(16)25-23-26(21-10-6-4-8-17(21)2)22(15-27-23)18-11-13-19(24)14-12-18/h3-15H,1-2H3/p+1
- Stored Murcko scaffold
- s1cc(-c2ccccc2)[n+](-c3ccccc3)c1Nc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.938 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 7.834
- 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.
Mitochondrial Fusion
Dataset #19 · 24825495