Molecule card · MolClass #50590
17507496
17507496: 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
- 17507496Mitochondrial Fusion · compound_name
- MolClass ID
- 50590
- InChIKey
- HGBGVSISVCEHRA-UHFFFAOYSA-N
- Canonical SMILES
- CC2CC1(CCCC1)N(Cc3ccccc23)C(=O)c4ccccc4
- Standard InChI
- InChI=1S/C22H25NO/c1-17-15-22(13-7-8-14-22)23(16-19-11-5-6-12-20(17)19)21(24)18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)[CH]N2Cc3ccccc3CCC24CCCC4
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
- 2
- 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
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.24
- 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 · 17507496