Molecule card · MolClass #49725
24785022
24785022: 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
- 24785022Mitochondrial Fusion · compound_name
- MolClass ID
- 49725
- InChIKey
- BMEGZTNRPRGQRW-UHFFFAOYSA-N
- Canonical SMILES
- Cc3cccc(C)c3(NC(N(Cc1ccccc1)Cc2cccs2)=S)
- Standard InChI
- InChI=1S/C21H22N2S2/c1-16-8-6-9-17(2)20(16)22-21(24)23(15-19-12-7-13-25-19)14-18-10-4-3-5-11-18/h3-13H,14-15H2,1-2H3,(H,22,24)
- Stored Murcko scaffold
- s1cccc1CN([CH]Nc2ccccc2)Cc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.546 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.188
- 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 · 24785022