Molecule card · MolClass #48974
24830749
24830749: 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
- 24830749Mitochondrial Fusion · compound_name
- MolClass ID
- 48974
- InChIKey
- NQMVNYIMBARVFB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccccc1)Nc2ncc([N+](=O)[O-])s2
- Standard InChI
- InChI=1S/C10H8N4O3S/c15-9(12-7-4-2-1-3-5-7)13-10-11-6-8(18-10)14(16)17/h1-6H,(H2,11,12,13,15)
- Stored Murcko scaffold
- n1ccsc1N[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.
- LOPAC 01133#825
- 24821659#49157
- CD 08396#80396
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.941
- 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 · 24830749