Molecule card · MolClass #38900
24801244
24801244: 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
- 24801244Mitochondrial Fusion · compound_name
- MolClass ID
- 38900
- InChIKey
- LYUNEGGFOJLIOK-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc2c(c1)ccn3cc(nc23)c4cccs4
- Standard InChI
- InChI=1S/C15H10N2S/c1-2-5-12-11(4-1)7-8-17-10-13(16-15(12)17)14-6-3-9-18-14/h1-10H
- Stored Murcko scaffold
- n1c(cn2ccc3ccccc3c12)-c4sccc4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 250.32 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.665
- 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 · 24801244