Molecule card · MolClass #49723
24785642
24785642: 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
- 24785642Mitochondrial Fusion · compound_name
- MolClass ID
- 49723
- InChIKey
- PWXDSBBOASXQRF-UHFFFAOYSA-N
- Canonical SMILES
- CCc3ccccc3(NC(N(Cc1cccs1)C2CCCC2)=S)
- Standard InChI
- InChI=1S/C19H24N2S2/c1-2-15-8-3-6-12-18(15)20-19(22)21(16-9-4-5-10-16)14-17-11-7-13-23-17/h3,6-8,11-13,16H,2,4-5,9-10,14H2,1H3,(H,20,22)
- Stored Murcko scaffold
- s1cccc1CN([CH]Nc2ccccc2)C3CCCC3
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.
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
- 344.54 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.975
- 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 · 24785642