Molecule card · MolClass #44460
24813002
24813002: 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
- 24813002Mitochondrial Fusion · compound_name
- MolClass ID
- 44460
- InChIKey
- NLYFQYZOGYOXBF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CSc1ccsc1[N+](=O)[O-])N2CCCCC2
- Standard InChI
- InChI=1S/C11H14N2O3S2/c14-10(12-5-2-1-3-6-12)8-18-9-4-7-17-11(9)13(15)16/h4,7H,1-3,5-6,8H2
- Stored Murcko scaffold
- s1ccc(SC[CH]N2CCCCC2)c1
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.956
- 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 · 24813002