Molecule card · MolClass #48597
848420
848420: 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
- 848420Mitochondrial Fusion · compound_name
- MolClass ID
- 48597
- InChIKey
- RZLUNFHGFORIID-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCc1ccccc1)C(c2cccs2)N(C3CC3)C(=O)c4csnn4
- Standard InChI
- InChI=1S/C19H18N4O2S2/c24-18(20-11-13-5-2-1-3-6-13)17(16-7-4-10-26-16)23(14-8-9-14)19(25)15-12-27-22-21-15/h1-7,10,12,14,17H,8-9,11H2,(H,20,24)
- Stored Murcko scaffold
- n1nc(cs1)[CH]N(C([CH]NCc2ccccc2)c3sccc3)C4CC4
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.344
- 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 · 848420