Molecule card · MolClass #47023
24780369
24780369: 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
- 24780369Mitochondrial Fusion · compound_name
- MolClass ID
- 47023
- InChIKey
- ANDZPQWJOWTPMK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)OCC2CCCN(C2)Cc3nc(no3)C4CC4
- Standard InChI
- InChI=1S/C19H25N3O2/c1-14-4-2-6-17(10-14)23-13-15-5-3-9-22(11-15)12-18-20-19(21-24-18)16-7-8-16/h2,4,6,10,15-16H,3,5,7-9,11-13H2,1H3
- Stored Murcko scaffold
- n1oc(nc1C2CC2)CN3CCCC(COc4ccccc4)C3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.39 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.421 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.306
- 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 · 24780369