Molecule card · MolClass #41462
17386728
17386728: 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
- 17386728Mitochondrial Fusion · compound_name
- MolClass ID
- 41462
- InChIKey
- WUZUJMUUBNWHCM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN1C(=O)c2ccc3CCc4ccc(C1(=O))c2c34)C(F)(F)F
- Standard InChI
- InChI=1S/C16H9F3N2O3/c17-16(18,19)15(24)20-21-13(22)9-5-3-7-1-2-8-4-6-10(14(21)23)12(9)11(7)8/h3-6H,1-2H2,(H,20,24)
- Stored Murcko scaffold
- n1cc2ccc3c4c(ccc(c1)c24)CC3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 334.25 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.911
- 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 · 17386728