Molecule card · MolClass #38098
24827669
24827669: 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
- 24827669Mitochondrial Fusion · compound_name
- MolClass ID
- 38098
- InChIKey
- URAPOSTVLFMLTB-UHFFFAOYSA-N
- Canonical SMILES
- OC(c1ccc(Cl)s1)=C(C(=NCc2ccccc2)[S-])[n+]3ccccc3
- Standard InChI
- InChI=1S/C19H15ClN2OS2/c20-16-10-9-15(25-16)18(23)17(22-11-5-2-6-12-22)19(24)21-13-14-7-3-1-4-8-14/h1-12H,13H2,(H-,21,23,24)
- Stored Murcko scaffold
- N(=CC(=Cc1sccc1)[n+]2ccccc2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 386.921 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.577
- 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 · 24827669