Molecule card · MolClass #50882
17415697
17415697: 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
- 17415697Mitochondrial Fusion · compound_name
- MolClass ID
- 50882
- InChIKey
- YQTIQQVVQNOCPZ-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c1ccc(cc1)NC(=O)Nc2ccccc2C(F)(F)F
- Standard InChI
- InChI=1S/C18H20F3N3O/c1-3-24(4-2)14-11-9-13(10-12-14)22-17(25)23-16-8-6-5-7-15(16)18(19,20)21/h5-12H,3-4H2,1-2H3,(H2,22,23,25)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 44.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.367 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.462
- 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 · 17415697