Molecule card · MolClass #49755
24783582
24783582: 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
- 24783582Mitochondrial Fusion · compound_name
- MolClass ID
- 49755
- InChIKey
- LVKSEIDGIPEKPU-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(c1ccccc1)N3N=C(CC3(c2ccccc2))c4ccccc4
- Standard InChI
- InChI=1S/C21H18N2O2S/c24-26(25,19-14-8-3-9-15-19)23-21(18-12-6-2-7-13-18)16-20(22-23)17-10-4-1-5-11-17/h1-15,21H,16H2
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC(c3ccccc3)N1Sc4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.447 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.07
- 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 · 24783582