Molecule card · MolClass #49365
24810407
24810407: 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
- 24810407Mitochondrial Fusion · compound_name
- MolClass ID
- 49365
- InChIKey
- NENSIQKUNMGGLK-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(NC(N(Cc1cccs1)C2CCCCC2)=S)
- Standard InChI
- InChI=1S/C19H24N2S2/c1-15-8-5-6-12-18(15)20-19(22)21(14-17-11-7-13-23-17)16-9-3-2-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,20,22)
- Stored Murcko scaffold
- s1cccc1CN([CH]Nc2ccccc2)C3CCCCC3
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.54 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.08
- 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 · 24810407