Molecule card · MolClass #38540
24799028
24799028: 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
- 24799028Mitochondrial Fusion · compound_name
- MolClass ID
- 38540
- InChIKey
- STOYIYYPQRSQTK-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc3ccc4OCCc4(c3)
- Standard InChI
- InChI=1S/C20H30N2O2/c23-11-7-19-15-21(9-10-22(19)18-3-1-2-4-18)14-16-5-6-20-17(13-16)8-12-24-20/h5-6,13,18-19,23H,1-4,7-12,14-15H2
- Stored Murcko scaffold
- O1c2ccc(cc2CC1)CN3CCN(CC3)C4CCCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 330.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.122
- 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 · 24799028