Molecule card · MolClass #45608
24835936
24835936: 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
- 24835936Mitochondrial Fusion · compound_name
- MolClass ID
- 45608
- InChIKey
- UWMDLXSQGLERIU-VLGSPTGOSA-N
- Canonical SMILES
- O=C(CCl)N=C1N(C=CS1)Cc3cccc2ccccc23
- Standard InChI
- InChI=1S/C16H13ClN2OS/c17-10-15(20)18-16-19(8-9-21-16)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2/b18-16-
- Stored Murcko scaffold
- S1C=CN([CH]1)Cc2cccc3ccccc32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.673
- 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 · 24835936