Molecule card · MolClass #50776
17433250
17433250: 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
- 17433250Mitochondrial Fusion · compound_name
- MolClass ID
- 50776
- InChIKey
- FWOVLJRIVPOLLS-UHFFFAOYSA-N
- Canonical SMILES
- FC(F)(F)c1ccc(nc1)Oc3ccc2ccccc2c3Br
- Standard InChI
- InChI=1S/C16H9BrF3NO/c17-15-12-4-2-1-3-10(12)5-7-13(15)22-14-8-6-11(9-21-14)16(18,19)20/h1-9H
- Stored Murcko scaffold
- n1ccccc1Oc2ccc3ccccc3c2
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
- 1
- 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
- 22.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.148 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.968
- 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 · 17433250