Molecule card · MolClass #37781
24799859
24799859: 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
- 24799859Mitochondrial Fusion · compound_name
- MolClass ID
- 37781
- InChIKey
- YSKZLKOLMXRCOF-CALCHBBNSA-N
- Canonical SMILES
- Cc1ccc(cc1)C2(CCCC2)c4noc(CN3CC(C)OC(C)C3)n4
- Standard InChI
- InChI=1S/C21H29N3O2/c1-15-6-8-18(9-7-15)21(10-4-5-11-21)20-22-19(26-23-20)14-24-12-16(2)25-17(3)13-24/h6-9,16-17H,4-5,10-14H2,1-3H3/t16-,17+
- Stored Murcko scaffold
- n1oc(nc1C2(c3ccccc3)CCCC2)CN4CCOCC4
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 355.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.406
- 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 · 24799859