Molecule card · MolClass #46928
24798734
24798734: 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
- 24798734Mitochondrial Fusion · compound_name
- MolClass ID
- 46928
- InChIKey
- VKIASFLWSXDLFR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccsc1C(=O)C4CCCN(Cc2cccc(c2)n3cccn3)C4
- Standard InChI
- InChI=1S/C21H23N3OS/c1-16-8-12-26-21(16)20(25)18-6-3-10-23(15-18)14-17-5-2-7-19(13-17)24-11-4-9-22-24/h2,4-5,7-9,11-13,18H,3,6,10,14-15H2,1H3
- Stored Murcko scaffold
- n1cccn1-c2cccc(c2)CN3CCCC([CH]c4sccc4)C3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.052
- 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 · 24798734