Molecule card · MolClass #44754
24810605
24810605: 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
- 24810605Mitochondrial Fusion · compound_name
- MolClass ID
- 44754
- InChIKey
- MVKKYVFSIDMDQF-OMCISZLKSA-N
- Canonical SMILES
- Cc2ncc(n2(CC(=O)NN=Cc1ccccc1(F)))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H12FN5O3/c1-9-15-7-13(19(21)22)18(9)8-12(20)17-16-6-10-4-2-3-5-11(10)14/h2-7H,8H2,1H3,(H,17,20)/b16-6+
- Stored Murcko scaffold
- n1ccn(c1)C[CH]NN=Cc2ccccc2
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
- 4
- 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
- 102.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.466
- 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 · 24810605