Molecule card · MolClass #43545
14726727
14726727: 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
- 14726727Mitochondrial Fusion · compound_name
- MolClass ID
- 43545
- InChIKey
- WBTUVLZNPFPSJF-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2=C(O)C(=O)N(CC#N)C2(c1cccs1)
- Standard InChI
- InChI=1S/C12H10N2O3S/c1-7(15)9-10(8-3-2-6-18-8)14(5-4-13)12(17)11(9)16/h2-3,6,10,16H,5H2,1H3
- Stored Murcko scaffold
- [N]1[CH]C=CC1c2sccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.328
- 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 · 14726727