Molecule card · MolClass #41253
17507757
17507757: 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
- 17507757Mitochondrial Fusion · compound_name
- MolClass ID
- 41253
- InChIKey
- QAMLFHUAOAAVML-UHFFFAOYSA-N
- Canonical SMILES
- CC=1CC(O)(N(N=1)C(=O)CCc2ccccc2(O))C(F)(F)F
- Standard InChI
- InChI=1S/C14H15F3N2O3/c1-9-8-13(22,14(15,16)17)19(18-9)12(21)7-6-10-4-2-3-5-11(10)20/h2-5,20,22H,6-8H2,1H3
- Stored Murcko scaffold
- N1=CCCN1[CH]CCc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.863
- 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 · 17507757