Molecule card · MolClass #47987
22403152
22403152: 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
- 22403152Mitochondrial Fusion · compound_name
- MolClass ID
- 47987
- InChIKey
- CFIZFNDEKCMDNW-UHFFFAOYSA-N
- Canonical SMILES
- [O-][n+]3cc(c1ccc(cc1)Cl)[n+]([O-])c2CCCCCc23
- Standard InChI
- InChI=1S/C15H15ClN2O2/c16-12-8-6-11(7-9-12)15-10-17(19)13-4-2-1-3-5-14(13)18(15)20/h6-10H,1-5H2
- Stored Murcko scaffold
- c1ccc(cc1)-c2c[nH+]c3c([nH+]2)CCCCC3
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.745 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.664
- 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 · 22403152