Molecule card · MolClass #35915
24781847
24781847: 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
- 24781847Mitochondrial Fusion · compound_name
- MolClass ID
- 35915
- InChIKey
- ASMUVNXPAOPIHT-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)Cn2nc(nc2(Oc1ccccc1(F)))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H8FN5O4/c11-6-3-1-2-4-7(6)20-10-13-9(16(18)19)14-15(10)5-8(12)17/h1-4H,5H2,(H2,12,17)
- Stored Murcko scaffold
- n1cnc(Oc2ccccc2)[nH]1
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.
- 24794471#36101
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.2 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.903
- 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 · 24781847