Molecule card · MolClass #49542
24794332
24794332: 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
- 24794332Mitochondrial Fusion · compound_name
- MolClass ID
- 49542
- InChIKey
- CESGBQSBLXNVKX-UHFFFAOYSA-N
- Canonical SMILES
- OC(CNCc1ccc(cc1)c2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C21H21NO/c23-21(20-9-5-2-6-10-20)16-22-15-17-11-13-19(14-12-17)18-7-3-1-4-8-18/h1-14,21-23H,15-16H2
- Stored Murcko scaffold
- c1ccc(cc1)-c2ccc(cc2)CNCCc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.578
- 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 · 24794332