Molecule card · MolClass #47098
14728339
14728339: 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
- 14728339Mitochondrial Fusion · compound_name
- MolClass ID
- 47098
- InChIKey
- ZSUGDMDDNBETIQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccccc1Cl)C=2c4ccccc4(CCC=2N3CCCC3)
- Standard InChI
- InChI=1S/C21H20ClNO/c22-18-10-4-3-9-17(18)21(24)20-16-8-2-1-7-15(16)11-12-19(20)23-13-5-6-14-23/h1-4,7-10H,5-6,11-14H2
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C=2c3ccccc3CCC2N4CCCC4
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.
- 14728070#47096
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 337.843 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.447
- 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 · 14728339