Molecule card · MolClass #50767
17433862
17433862: 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
- 17433862Mitochondrial Fusion · compound_name
- MolClass ID
- 50767
- InChIKey
- MQZBASHQHDFTHV-VAWYXSNFSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=CC(=O)N2CCC(CC2)Cc3ccccc3
- Standard InChI
- InChI=1S/C22H25NO/c1-18-7-9-19(10-8-18)11-12-22(24)23-15-13-21(14-16-23)17-20-5-3-2-4-6-20/h2-12,21H,13-17H2,1H3/b12-11+
- Stored Murcko scaffold
- c1ccc(cc1)C=C[CH]N2CCC(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.
- 17506347#50664
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.095
- 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 · 17433862