Molecule card · MolClass #43178
24800086
24800086: 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
- 24800086Mitochondrial Fusion · compound_name
- MolClass ID
- 43178
- InChIKey
- ZYEJHEIQNIPHJT-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN4CCN(Cc2ccc(cc2)n3cccn3)CC4(CCO)
- Standard InChI
- InChI=1S/C24H30N4O/c1-20-3-5-22(6-4-20)18-27-15-14-26(19-24(27)11-16-29)17-21-7-9-23(10-8-21)28-13-2-12-25-28/h2-10,12-13,24,29H,11,14-19H2,1H3
- Stored Murcko scaffold
- n1cccn1-c2ccc(cc2)CN3CCN(Cc4ccccc4)CC3
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.
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
- 44.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 390.522 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.39
- 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 · 24800086