Molecule card · MolClass #41415
24841304
24841304: 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
- 24841304Mitochondrial Fusion · compound_name
- MolClass ID
- 41415
- InChIKey
- JCRUWPNDFVEUEI-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(NC(=O)CSc1cccc[n+]1([O-]))c(c2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H13N3O4S/c1-10-5-6-11(12(8-10)17(20)21)15-13(18)9-22-14-4-2-3-7-16(14)19/h2-8H,9H2,1H3,(H,15,18)
- Stored Murcko scaffold
- S(c1cccc[nH+]1)C[CH]Nc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.826
- 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 · 24841304