Molecule card · MolClass #52322
863382
863382: 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
- 863382Mitochondrial Fusion · compound_name
- MolClass ID
- 52322
- InChIKey
- FXPLLSCGFSLNKC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N(Cc2cc(O)nc3ccccc23)C(C)=O
- Standard InChI
- InChI=1S/C19H18N2O2/c1-13-6-5-7-16(10-13)21(14(2)22)12-15-11-19(23)20-18-9-4-3-8-17(15)18/h3-11H,12H2,1-2H3,(H,20,23)
- Stored Murcko scaffold
- n1ccc(c2ccccc12)C[N]c3ccccc3
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
- 53.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.99
- 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 · 863382