Molecule card · MolClass #44540
24787960
24787960: 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
- 24787960Mitochondrial Fusion · compound_name
- MolClass ID
- 44540
- InChIKey
- SZZVVRZTUXEYGJ-UHFFFAOYSA-N
- Canonical SMILES
- CCNS(=O)(=O)c1ccc(cc1)NC(=O)Cn2cc(cn2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H15N5O5S/c1-2-15-24(22,23)12-5-3-10(4-6-12)16-13(19)9-17-8-11(7-14-17)18(20)21/h3-8,15H,2,9H2,1H3,(H,16,19)
- Stored Murcko scaffold
- n1cccn1C[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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 144.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 353.355 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.824
- 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 · 24787960