Molecule card · MolClass #36933
24800560
24800560: 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
- 24800560Mitochondrial Fusion · compound_name
- MolClass ID
- 36933
- InChIKey
- ZBZPITPZBRHARO-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccc(CN2CCN(Cc1cn(C)nc1(C))CC2(CCO))o3
- Standard InChI
- InChI=1S/C18H28N4O2/c1-14-4-5-18(24-14)13-22-8-7-21(12-17(22)6-9-23)11-16-10-20(3)19-15(16)2/h4-5,10,17,23H,6-9,11-13H2,1-3H3
- Stored Murcko scaffold
- n1cc(c[nH]1)CN2CCN(Cc3occc3)CC2
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.456
- 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 · 24800560