Molecule card · MolClass #47889
17514744
17514744: 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
- 17514744Mitochondrial Fusion · compound_name
- MolClass ID
- 47889
- InChIKey
- SBHGJDUSLNRBIF-UHFFFAOYSA-N
- Canonical SMILES
- CC2C(=O)N(CC(=O)NCc1ccccc1)C(=O)CS2
- Standard InChI
- InChI=1S/C14H16N2O3S/c1-10-14(19)16(13(18)9-20-10)8-12(17)15-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,17)
- Stored Murcko scaffold
- S1C[CH]N([CH]C1)C[CH]NCc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.602
- 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 · 17514744