Molecule card · MolClass #45173
24818807
24818807: 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
- 24818807Mitochondrial Fusion · compound_name
- MolClass ID
- 45173
- InChIKey
- TUDYPJSJXPLTFD-UHFFFAOYSA-N
- Canonical SMILES
- OCc2cnc(n2(Cc1ccccc1))S(=O)(=O)Cc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C18H17ClN2O3S/c19-16-8-6-15(7-9-16)13-25(23,24)18-20-10-17(12-22)21(18)11-14-4-2-1-3-5-14/h1-10,22H,11-13H2
- Stored Murcko scaffold
- n1ccn(c1SCc2ccccc2)Cc3ccccc3
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.
- 24821062#41548
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 376.859 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.773
- 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 · 24818807