Molecule card · MolClass #49581
24794689
24794689: 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
- 24794689Mitochondrial Fusion · compound_name
- MolClass ID
- 49581
- InChIKey
- VWEGPPZTKXKAKO-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccc(cc1s2)C(=O)NCc3ccc4OCOc4(c3)
- Standard InChI
- InChI=1S/C17H14N2O3S/c1-10-19-13-4-3-12(7-16(13)23-10)17(20)18-8-11-2-5-14-15(6-11)22-9-21-14/h2-7H,8-9H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1csc2cc(ccc12)[CH]NCc3ccc4OCOc4c3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.371 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.394
- 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 · 24794689