Molecule card · MolClass #47549
17504152
17504152: 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
- 17504152Mitochondrial Fusion · compound_name
- MolClass ID
- 47549
- InChIKey
- KFWWSDHUPLWRKI-LMTLIKQPSA-N
- Canonical SMILES
- C[N+]12(CCC(CC1)C(C2)=C(c3ccccc3)c4ccccc4)
- Standard InChI
- InChI=1S/C21H24N/c1-22-14-12-17(13-15-22)20(16-22)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3/q+1/t17-,22+
- Stored Murcko scaffold
- c1ccc(cc1)C(c2ccccc2)=C3C[NH+]4CCC3CC4
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 0 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.423 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.889
- 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 · 17504152