Molecule card · MolClass #38335
24790850
24790850: 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
- 24790850Mitochondrial Fusion · compound_name
- MolClass ID
- 38335
- InChIKey
- MZWSECKZNYOHGO-UHFFFAOYSA-N
- Canonical SMILES
- CCCS(=O)(=O)N1CCN=C1SCc2cccnc2
- Standard InChI
- InChI=1S/C12H17N3O2S2/c1-2-8-19(16,17)15-7-6-14-12(15)18-10-11-4-3-5-13-9-11/h3-5,9H,2,6-8,10H2,1H3
- Stored Murcko scaffold
- n1cccc(c1)CSC2=NCCN2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 299.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.672
- 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 · 24790850