Molecule card · MolClass #49515
24795681
24795681: 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
- 24795681Mitochondrial Fusion · compound_name
- MolClass ID
- 49515
- InChIKey
- PATQZWQCQOLOBF-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c2ccccc2(OCCOCCN1CCCCCC1)
- Standard InChI
- InChI=1S/C20H33NO2/c1-20(2,3)18-10-6-7-11-19(18)23-17-16-22-15-14-21-12-8-4-5-9-13-21/h6-7,10-11H,4-5,8-9,12-17H2,1-3H3
- Stored Murcko scaffold
- O(c1ccccc1)CCOCCN2CCCCCC2
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
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 21.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.482 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.428
- 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 · 24795681