Molecule card · MolClass #43735
17411210
17411210: 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
- 17411210Mitochondrial Fusion · compound_name
- MolClass ID
- 43735
- InChIKey
- ODNAHSRJQUKZJC-UHFFFAOYSA-N
- Canonical SMILES
- C=CCSc2nc1ccsc1c(n2)Oc3ccccc3
- Standard InChI
- InChI=1S/C15H12N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(17-15)18-11-6-4-3-5-7-11/h2-8,10H,1,9H2
- Stored Murcko scaffold
- n1cnc2ccsc2c1Oc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.983
- 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 · 17411210