Molecule card · MolClass #51670
14732463
14732463: 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
- 14732463Mitochondrial Fusion · compound_name
- MolClass ID
- 51670
- InChIKey
- OQUKXIHLWYORRF-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C(=O)c2c3C(=O)c4ccccc4(C(=O)c3(oc2C(F)(F)F))
- Standard InChI
- InChI=1S/C22H13F3O6/c1-29-13-8-7-10(9-14(13)30-2)17(26)16-15-18(27)11-5-3-4-6-12(11)19(28)20(15)31-21(16)22(23,24)25/h3-9H,1-2H3
- Stored Murcko scaffold
- o1cc([CH]c2ccccc2)c3cc4ccccc4cc13
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.
- 14735101#51599
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 430.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.005
- 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 · 14732463