Molecule card · MolClass #47293
17409284
17409284: 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
- 17409284Mitochondrial Fusion · compound_name
- MolClass ID
- 47293
- InChIKey
- QLAYQSFFZBNXHJ-UHFFFAOYSA-N
- Canonical SMILES
- CCc1ccc(cc1)C=2CC(O)(N(N=2)C(=O)OC)C(F)(F)F
- Standard InChI
- InChI=1S/C14H15F3N2O3/c1-3-9-4-6-10(7-5-9)11-8-13(21,14(15,16)17)19(18-11)12(20)22-2/h4-7,21H,3,8H2,1-2H3
- Stored Murcko scaffold
- N=1[N]CCC1c2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 316.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.357
- 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 · 17409284