Molecule card · MolClass #36852
24799985
24799985: 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
- 24799985Mitochondrial Fusion · compound_name
- MolClass ID
- 36852
- InChIKey
- SBJDLFQECAKTHI-UHFFFAOYSA-N
- Canonical SMILES
- OCCC2CN(CCN2(Cc1ccccc1))Cc4cccn4(c3cccnc3)
- Standard InChI
- InChI=1S/C23H28N4O/c28-15-10-22-18-25(13-14-26(22)17-20-6-2-1-3-7-20)19-23-9-5-12-27(23)21-8-4-11-24-16-21/h1-9,11-12,16,22,28H,10,13-15,17-19H2
- Stored Murcko scaffold
- n1cccc(c1)-n2cccc2CN3CCN(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
- 2.237
- 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 · 24799985