Molecule card · MolClass #36693
17412522
17412522: 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
- 17412522Mitochondrial Fusion · compound_name
- MolClass ID
- 36693
- InChIKey
- VIRLFYAIXYKOCM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)Cn3cc(c2ccccc2)[n+]4CCCCCc34
- Standard InChI
- InChI=1S/C23H25N2O/c1-18-11-13-20(14-12-18)22(26)17-24-16-21(19-8-4-2-5-9-19)25-15-7-3-6-10-23(24)25/h2,4-5,8-9,11-14,16H,3,6-7,10,15,17H2,1H3/q+1
- Stored Murcko scaffold
- c1ccc(cc1)[CH]Cn2cc(-c3ccccc3)[n+]4c2CCCCC4
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 25.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 345.458 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.947
- 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 · 17412522