Molecule card · MolClass #46109
24814724
24814724: 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
- 24814724Mitochondrial Fusion · compound_name
- MolClass ID
- 46109
- InChIKey
- FYSNYJGPIDUYHL-UHFFFAOYSA-N
- Canonical SMILES
- CC[n+]1cccc(c1)c3nc2ccccc2s3
- Standard InChI
- InChI=1S/C14H13N2S/c1-2-16-9-5-6-11(10-16)14-15-12-7-3-4-8-13(12)17-14/h3-10H,2H2,1H3/q+1
- Stored Murcko scaffold
- n1c(sc2ccccc12)-c3ccc[nH+]c3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 45.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 241.333 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.146
- 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 · 24814724