Molecule card · MolClass #42941
17403573
17403573: 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
- 17403573Mitochondrial Fusion · compound_name
- MolClass ID
- 42941
- InChIKey
- OSPUDCFSUAVQAR-UHFFFAOYSA-N
- Canonical SMILES
- CCC=1CC(O)(N(N=1)C(=O)C(=O)NCCc2ccccc2)C(F)(F)F
- Standard InChI
- InChI=1S/C16H18F3N3O3/c1-2-12-10-15(25,16(17,18)19)22(21-12)14(24)13(23)20-9-8-11-6-4-3-5-7-11/h3-7,25H,2,8-10H2,1H3,(H,20,23)
- Stored Murcko scaffold
- N1=CCCN1[CH][CH]NCCc2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 357.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.874
- 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 · 17403573