Molecule card · MolClass #43170
24799770
24799770: 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
- 24799770Mitochondrial Fusion · compound_name
- MolClass ID
- 43170
- InChIKey
- RUXSYVUMXJFREX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CCN3CCN(Cc1ccc2cc(ccc2(n1))NC(C)=O)CC3(CCO)
- Standard InChI
- InChI=1S/C23H32N4O2/c1-17(2)8-10-27-12-11-26(16-22(27)9-13-28)15-21-5-4-19-14-20(24-18(3)29)6-7-23(19)25-21/h4-8,14,22,28H,9-13,15-16H2,1-3H3,(H,24,29)
- Stored Murcko scaffold
- n1c2ccccc2ccc1CN3CCNCC3
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.
- 24797908#46695
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.527 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.749
- 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 · 24799770