Molecule card · MolClass #50664
17506347
17506347: 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
- 17506347Mitochondrial Fusion · compound_name
- MolClass ID
- 50664
- InChIKey
- GUNGIZRKOPSLHE-MDZDMXLPSA-N
- Canonical SMILES
- O=C(C=Cc1cccc(c1)Cl)N2CCC(CC2)Cc3ccccc3
- Standard InChI
- InChI=1S/C21H22ClNO/c22-20-8-4-7-18(16-20)9-10-21(24)23-13-11-19(12-14-23)15-17-5-2-1-3-6-17/h1-10,16,19H,11-15H2/b10-9+
- 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.
- 17433862#50767
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
- 339.859 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.28
- 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 · 17506347