Molecule card · MolClass #42815
24800623
24800623: 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
- 24800623Mitochondrial Fusion · compound_name
- MolClass ID
- 42815
- InChIKey
- WXVRNAPILHWBAN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CN3CCN(Cc2cccc(C)n2)CC3(CCO)
- Standard InChI
- InChI=1S/C21H29N3O/c1-17-6-8-19(9-7-17)14-24-12-11-23(16-21(24)10-13-25)15-20-5-3-4-18(2)22-20/h3-9,21,25H,10-16H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1CN2CCN(Cc3ccccc3)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.
No other molecules currently have this stored scaffold.
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
- 39.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.475 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.401
- 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 · 24800623