Molecule card · MolClass #51515
14738876
14738876: 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
- 14738876Mitochondrial Fusion · compound_name
- MolClass ID
- 51515
- InChIKey
- ZKIZHBKUIJEGEO-UHFFFAOYSA-N
- Canonical SMILES
- Nc2nc1ccc(cc1s2)S(=O)(=O)N3CCCCC3
- Standard InChI
- InChI=1S/C12H15N3O2S2/c13-12-14-10-5-4-9(8-11(10)18-12)19(16,17)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14)
- Stored Murcko scaffold
- n1csc2cc(SN3CCCCC3)ccc12
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.399 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.066
- 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 · 14738876