Molecule card · MolClass #51386
14745099
14745099: 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
- 14745099Mitochondrial Fusion · compound_name
- MolClass ID
- 51386
- InChIKey
- QRBSOYIIOSNECT-WLRTZDKTSA-N
- Canonical SMILES
- CSc3nncn3(N=Cc1ccc2OCOc2(c1))
- Standard InChI
- InChI=1S/C11H10N4O2S/c1-18-11-14-12-6-15(11)13-5-8-2-3-9-10(4-8)17-7-16-9/h2-6H,7H2,1H3/b13-5+
- Stored Murcko scaffold
- n1ncn(N=Cc2ccc3OCOc3c2)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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.289 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.218
- 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 · 14745099