Molecule card · MolClass #49402
24807085
24807085: 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
- 24807085Mitochondrial Fusion · compound_name
- MolClass ID
- 49402
- InChIKey
- BZKFKMJKMGZZKC-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(CNCCc1ccc(cc1)Cl)cc3(OCc2ccccc2)
- Standard InChI
- InChI=1S/C23H24ClNO2/c1-26-22-12-9-20(15-23(22)27-17-19-5-3-2-4-6-19)16-25-14-13-18-7-10-21(24)11-8-18/h2-12,15,25H,13-14,16-17H2,1H3
- Stored Murcko scaffold
- O(c1cccc(c1)CNCCc2ccccc2)Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 381.896 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.296
- 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 · 24807085