Molecule card · MolClass #38994
14743409
14743409: 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
- 14743409Mitochondrial Fusion · compound_name
- MolClass ID
- 38994
- InChIKey
- XWJZYIJMSYKESC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(c(O)c1(OC))c3ncncc3(c2csc(C)n2)
- Standard InChI
- InChI=1S/C16H15N3O3S/c1-9-19-12(7-23-9)11-6-17-8-18-14(11)10-4-5-13(21-2)16(22-3)15(10)20/h4-8,20H,1-3H3
- Stored Murcko scaffold
- n1cnc(-c2ccccc2)c(c1)-c3ncsc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 329.375 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.609
- 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 · 14743409