Molecule card · MolClass #38369
24800824
24800824: 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
- 24800824Mitochondrial Fusion · compound_name
- MolClass ID
- 38369
- InChIKey
- OFYYMUOTCCXAHG-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)N1CCC(CC1)N3CCN(CCCc2ccccc2)CC3(CCO)
- Standard InChI
- InChI=1S/C23H39N3O/c1-20(2)25-14-10-22(11-15-25)26-17-16-24(19-23(26)12-18-27)13-6-9-21-7-4-3-5-8-21/h3-5,7-8,20,22-23,27H,6,9-19H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CCCN2CCN(CC2)C3CCNCC3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.576 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.897
- 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 · 24800824