Molecule card · MolClass #47315
24817676
24817676: 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
- 24817676Mitochondrial Fusion · compound_name
- MolClass ID
- 47315
- InChIKey
- UXXFTDDUWJSKEZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N3C(=O)CSC(c2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C17H15NO3S/c1-21-14-9-7-13(8-10-14)18-15(19)11-22-16(17(18)20)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
- Stored Murcko scaffold
- S1C[CH]N([CH]C1c2ccccc2)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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 313.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.398
- 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 · 24817676