Molecule card · MolClass #52483
849010
849010: 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
- 849010Mitochondrial Fusion · compound_name
- MolClass ID
- 52483
- InChIKey
- XZVKPZWYCZCAGN-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c3ccccc3(C(=O)N2(CCN1CCCCC1))
- Standard InChI
- InChI=1S/C15H18N2O2/c18-14-12-6-2-3-7-13(12)15(19)17(14)11-10-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-11H2
- Stored Murcko scaffold
- c1ccc2cn(cc2c1)CCN3CCCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 40.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 258.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.851
- 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 · 849010