Molecule card · MolClass #51719
14729891
14729891: 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
- 14729891Mitochondrial Fusion · compound_name
- MolClass ID
- 51719
- InChIKey
- OZAGQWBWALYFMS-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C3=C(c2ccc(cc2S3(=O))OC)Sc4ccc(C)cc4
- Standard InChI
- InChI=1S/C23H20O3S2/c1-15-4-11-19(12-5-15)27-22-20-13-10-18(26-3)14-21(20)28(24)23(22)16-6-8-17(25-2)9-7-16/h4-14H,1-3H3
- Stored Murcko scaffold
- S(c1ccccc1)c2c(sc3ccccc32)-c4ccccc4
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.
- 14733131#51619
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- 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
- 80.04 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 408.536 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.75
- 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 · 14729891