Molecule card · MolClass #36855
24830255
24830255: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24830255Mitochondrial Fusion · compound_name24826579Mitochondrial Fusion · compound_name
- MolClass ID
- 36855
- InChIKey
- NFSIEAUVEIRYMY-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)Cn3cc(c2ccc(cc2)OC)[n+]4CCCCc34
- Standard InChI
- InChI=1S/C23H25N2O3/c1-27-19-10-6-17(7-11-19)21-15-24(23-5-3-4-14-25(21)23)16-22(26)18-8-12-20(28-2)13-9-18/h6-13,15H,3-5,14,16H2,1-2H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]Cn2cc(-c3ccccc3)[n+]4c2CCCC4
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 377.457 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.982
- 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 · 24826579
Mitochondrial Fusion
Dataset #19 · 24830255