Molecule card · MolClass #43924
14726412
14726412: 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
- 14726412Mitochondrial Fusion · compound_name
- MolClass ID
- 43924
- InChIKey
- LEKXGDDYFOAYFT-UHFFFAOYSA-N
- Canonical SMILES
- O=C3NC(=O)SC3(Nc2cccc1ccccc12)
- Standard InChI
- InChI=1S/C13H10N2O2S/c16-11-12(18-13(17)15-11)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,12,14H,(H,15,16,17)
- Stored Murcko scaffold
- S1[CH]N[CH]C1Nc2cccc3ccccc32
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.391
- 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 · 14726412