Molecule card · MolClass #47096
14728070
14728070: 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
- 14728070Mitochondrial Fusion · compound_name
- MolClass ID
- 47096
- InChIKey
- POOZGCGDINGRLY-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1ccc(F)cc1)C=2c4ccccc4(CCC=2N3CCCC3)
- Standard InChI
- InChI=1S/C21H20FNO/c22-17-10-7-16(8-11-17)21(24)20-18-6-2-1-5-15(18)9-12-19(20)23-13-3-4-14-23/h1-2,5-8,10-11H,3-4,9,12-14H2
- 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.
- 14728339#47098
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
- 321.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.986
- 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 · 14728070