Molecule card · MolClass #37789
24786350
24786350: 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
- 24786350Mitochondrial Fusion · compound_name
- MolClass ID
- 37789
- InChIKey
- YGJCQOJRENCGPY-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCC1))Cc3ccccc3c4ccco4
- Standard InChI
- InChI=1S/C22H30N2O2/c25-14-11-20-17-23(12-13-24(20)19-7-2-3-8-19)16-18-6-1-4-9-21(18)22-10-5-15-26-22/h1,4-6,9-10,15,19-20,25H,2-3,7-8,11-14,16-17H2
- Stored Murcko scaffold
- o1cccc1-c2ccccc2CN3CCN(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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.487 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.001
- 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 · 24786350