Molecule card · MolClass #36697
24816443
24816443: 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
- 24816443Mitochondrial Fusion · compound_name
- MolClass ID
- 36697
- InChIKey
- PWFIPMZVDFKVKZ-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)[N+]=4CC(O)(c2ccc(F)cc2)N3CCCCC3=4
- Standard InChI
- InChI=1S/C21H24FN2O2/c1-2-26-19-12-10-18(11-13-19)23-15-21(25,16-6-8-17(22)9-7-16)24-14-4-3-5-20(23)24/h6-13,25H,2-5,14-15H2,1H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[N+]2=C3N(CCCC3)C(c4ccccc4)C2
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
- 2
- 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
- 35.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.824
- 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 · 24816443