Molecule card · MolClass #47851
4263292
4263292: 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
- 4263292Mitochondrial Fusion · compound_name
- MolClass ID
- 47851
- InChIKey
- UMNFXMBKXPZOQX-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc1ncn(n1)c2ccccc2)c3cccs3
- Standard InChI
- InChI=1S/C14H11N3OS2/c18-12(13-7-4-8-19-13)9-20-14-15-10-17(16-14)11-5-2-1-3-6-11/h1-8,10H,9H2
- Stored Murcko scaffold
- n1cn(nc1SC[CH]c2sccc2)-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
- 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
- 101.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.53
- 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 · 4263292