Molecule card · MolClass #38092
24798966
24798966: 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
- 24798966Mitochondrial Fusion · compound_name
- MolClass ID
- 38092
- InChIKey
- JEXYGSJZTXPLIZ-CYVLTUHYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(C1CCCCC1))CC(=Cc3ccccc3)Cl
- Standard InChI
- InChI=1S/C21H31ClN2O/c22-19(15-18-7-3-1-4-8-18)16-23-12-13-24(21(17-23)11-14-25)20-9-5-2-6-10-20/h1,3-4,7-8,15,20-21,25H,2,5-6,9-14,16-17H2/b19-15-
- Stored Murcko scaffold
- c1ccc(cc1)C=CCN2CCN(CC2)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
- 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
- 26.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.937 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.779
- 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 · 24798966