Molecule card · MolClass #41722
24812882
24812882: 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
- 24812882Mitochondrial Fusion · compound_name
- MolClass ID
- 41722
- InChIKey
- LMIMBTHCPZTIRH-UTCJRWHESA-N
- Canonical SMILES
- NC2=NC(=O)C(=Cc1ccsc1)S2
- Standard InChI
- InChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)/b6-3-
- Stored Murcko scaffold
- N1=CSC([CH]1)=Cc2cscc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 210.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.07
- 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 · 24812882