Molecule card · MolClass #49099
24825448
24825448: 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
- 24825448Mitochondrial Fusion · compound_name
- MolClass ID
- 49099
- InChIKey
- FBULINZOZSYALK-GZTJUZNOSA-N
- Canonical SMILES
- Cc2ccsc2(C=NNC(NCCc1ccccc1)=S)
- Standard InChI
- InChI=1S/C15H17N3S2/c1-12-8-10-20-14(12)11-17-18-15(19)16-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H2,16,18,19)/b17-11+
- Stored Murcko scaffold
- N(=Cc1sccc1)N[CH]NCCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.448 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.909
- 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 · 24825448