Molecule card · MolClass #46075
24821672
24821672: 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
- 24821672Mitochondrial Fusion · compound_name
- MolClass ID
- 46075
- InChIKey
- RGVLMVWXXSUQOV-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(CN2CCSc1c(ccs1)C2(=O))
- Standard InChI
- InChI=1S/C15H15NOS2/c1-11-4-2-3-5-12(11)10-16-7-9-19-15-13(14(16)17)6-8-18-15/h2-6,8H,7,9-10H2,1H3
- Stored Murcko scaffold
- s1ccc2[CH]N(Cc3ccccc3)CCSc12
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.396
- 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 · 24821672