Molecule card · MolClass #37071
24809548
24809548: 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
- 24809548Mitochondrial Fusion · compound_name
- MolClass ID
- 37071
- InChIKey
- BQKUSHXRZXVBJL-UHFFFAOYSA-N
- Canonical SMILES
- CC4(C)(C1CCC4(C(=O)O)(c2nc3ccccc3(nc12)))
- Standard InChI
- InChI=1S/C16H16N2O2/c1-15(2)9-7-8-16(15,14(19)20)13-12(9)17-10-5-3-4-6-11(10)18-13/h3-6,9H,7-8H2,1-2H3,(H,19,20)
- Stored Murcko scaffold
- n1c2ccccc2nc3c1C4CCC3C4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.339
- 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 · 24809548