Molecule card · MolClass #50479
17511310
17511310: 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
- 17511310Mitochondrial Fusion · compound_name
- MolClass ID
- 50479
- InChIKey
- HDYGTOWEELERED-UHFFFAOYSA-N
- Canonical SMILES
- Cc4cccc3c4(nc(NC(=O)c1ccc(cc1)NS(=O)(=O)c2cccs2)s3)
- Standard InChI
- InChI=1S/C19H15N3O3S3/c1-12-4-2-5-15-17(12)20-19(27-15)21-18(23)13-7-9-14(10-8-13)22-28(24,25)16-6-3-11-26-16/h2-11,22H,1H3,(H,20,21,23)
- Stored Murcko scaffold
- n1c(sc2ccccc12)N[CH]c3ccc(cc3)NSc4sccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 153.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.54 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.883
- 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 · 17511310