Molecule card · MolClass #51034
17412692
17412692: 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
- 17412692Mitochondrial Fusion · compound_name
- MolClass ID
- 51034
- InChIKey
- ZCRQJLNQRPFHPO-HEHNFIMWSA-N
- Canonical SMILES
- CCc3ccccc3(NC(=O)C(=Cc1ccccc1)c2ccccc2)
- Standard InChI
- InChI=1S/C23H21NO/c1-2-19-13-9-10-16-22(19)24-23(25)21(20-14-7-4-8-15-20)17-18-11-5-3-6-12-18/h3-17H,2H2,1H3,(H,24,25)/b21-17+
- Stored Murcko scaffold
- c1ccc(cc1)C=C([CH]Nc2ccccc2)c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.813
- 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 · 17412692