Molecule card · MolClass #41796
24799459
24799459: 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
- 24799459Mitochondrial Fusion · compound_name
- MolClass ID
- 41796
- InChIKey
- YSKAMAVCVYBNCF-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccccc1))Cc3ccc(cc3)n4cccn4
- Standard InChI
- InChI=1S/C23H28N4O/c28-16-11-23-19-25(14-15-26(23)18-20-5-2-1-3-6-20)17-21-7-9-22(10-8-21)27-13-4-12-24-27/h1-10,12-13,23,28H,11,14-19H2
- 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
- 376.495 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.953
- 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 · 24799459