Molecule card · MolClass #51600
14735099
14735099: 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
- 14735099Mitochondrial Fusion · compound_name
- MolClass ID
- 51600
- InChIKey
- AEUFNXCAQHWQDI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(COc1ccc(cc1)Cl)N2CCN(CC2)c3cccc(c3)C(F)(F)F
- Standard InChI
- InChI=1S/C19H18ClF3N2O2/c20-15-4-6-17(7-5-15)27-13-18(26)25-10-8-24(9-11-25)16-3-1-2-14(12-16)19(21,22)23/h1-7,12H,8-11,13H2
- Stored Murcko scaffold
- O(c1ccccc1)C[CH]N2CCN(c3ccccc3)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 398.807 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.729
- 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 · 14735099