Molecule card · MolClass #46265
850809
850809: 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
- 850809Mitochondrial Fusion · compound_name
- MolClass ID
- 46265
- InChIKey
- IAPSPNAQANIXMR-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc1C(=NCC(=O)Nc1s2)c3cccs3
- Standard InChI
- InChI=1S/C12H10N2OS2/c1-7-5-8-11(9-3-2-4-16-9)13-6-10(15)14-12(8)17-7/h2-5H,6H2,1H3,(H,14,15)
- Stored Murcko scaffold
- N1=C(c2sccc2)c3ccsc3N[CH]C1
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
- 97.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.727
- 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 · 850809