Molecule card · MolClass #49400
24806779
24806779: 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
- 24806779Mitochondrial Fusion · compound_name
- MolClass ID
- 49400
- InChIKey
- OIZJTWMKTCNXRJ-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCc2ccc(OCCCC[n+]1ccc(C)cc1)c(CCCCC)c2
- Standard InChI
- InChI=1S/C26H40NO/c1-4-6-8-12-24-14-15-26(25(22-24)13-9-7-5-2)28-21-11-10-18-27-19-16-23(3)17-20-27/h14-17,19-20,22H,4-13,18,21H2,1-3H3/q+1
- Stored Murcko scaffold
- O(c1ccccc1)CCCC[n+]2ccccc2
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
- 14
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 13.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.603 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 10.126
- 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 · 24806779