Molecule card · MolClass #40292
24812355
24812355: 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
- 24812355Mitochondrial Fusion · compound_name
- MolClass ID
- 40292
- InChIKey
- UPJMBIPMWKTYRY-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c2cn(CC(=O)Nc1cccc(F)c1)nn2
- Standard InChI
- InChI=1S/C13H13FN4O3/c1-2-21-13(20)11-7-18(17-16-11)8-12(19)15-10-5-3-4-9(14)6-10/h3-7H,2,8H2,1H3,(H,15,19)
- Stored Murcko scaffold
- n1nn(cc1)C[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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 292.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.231
- 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 · 24812355