Molecule card · MolClass #46800
22411728
22411728: 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
- 22411728Mitochondrial Fusion · compound_name
- MolClass ID
- 46800
- InChIKey
- OVLORJXZYVSEGD-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cccc5OCc3cc(C(=O)N1CCc2ccccc2(C1))sc3c45
- Standard InChI
- InChI=1S/C22H19NO2S/c1-14-5-4-8-18-20(14)21-17(13-25-18)11-19(26-21)22(24)23-10-9-15-6-2-3-7-16(15)12-23/h2-8,11H,9-10,12-13H2,1H3
- Stored Murcko scaffold
- O1c2ccccc2-c3sc(cc3C1)[CH]N4Cc5ccccc5CC4
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.
- 22411727#44865
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 361.459 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.239
- 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 · 22411728