Molecule card · MolClass #52066
4260696
4260696: 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
- 4260696Mitochondrial Fusion · compound_name
- MolClass ID
- 52066
- InChIKey
- RHLJKQOSGRQFCG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCCCN1CCOCC1)c3ccccc3(c2ccccc2)
- Standard InChI
- InChI=1S/C20H24N2O2/c23-20(21-11-6-12-22-13-15-24-16-14-22)19-10-5-4-9-18(19)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,23)
- Stored Murcko scaffold
- O1CCN(CC1)CCCN[CH]c2ccccc2-c3ccccc3
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
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.418 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.178
- 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 · 4260696