Molecule card · MolClass #49547
24792462
24792462: 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
- 24792462Mitochondrial Fusion · compound_name
- MolClass ID
- 49547
- InChIKey
- FSRNJBKLLKZKNJ-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccccc1C3CC(=NN3(C(=O)c2ccccc2))c4ccccc4
- Standard InChI
- InChI=1S/C22H18N2O2/c25-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)23-24(20)22(26)17-11-5-2-6-12-17/h1-14,20,25H,15H2
- Stored Murcko scaffold
- N1=C(c2ccccc2)CC(c3ccccc3)N1[CH]c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 52.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.096
- 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 · 24792462