Molecule card · MolClass #49988
22409762
22409762: 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
- 22409762Mitochondrial Fusion · compound_name
- MolClass ID
- 49988
- InChIKey
- DRIXOSNRVOTWBM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc2ccccc2(Cc1ccccc1))c4ccccc4(NS(=O)(=O)c3ccc(Cl)s3)
- Standard InChI
- InChI=1S/C24H19ClN2O3S2/c25-22-14-15-23(31-22)32(29,30)27-21-13-7-5-11-19(21)24(28)26-20-12-6-4-10-18(20)16-17-8-2-1-3-9-17/h1-15,27H,16H2,(H,26,28)
- Stored Murcko scaffold
- s1cccc1SNc2ccccc2[CH]Nc3ccccc3Cc4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 483.005 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.179
- 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 · 22409762