Molecule card · MolClass #50976
17410778
17410778: 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
- 17410778Mitochondrial Fusion · compound_name
- MolClass ID
- 50976
- InChIKey
- AZCZVJJMFOUNKQ-HKWRFOASSA-N
- Canonical SMILES
- CCN3C(=O)Nc1ccccc1C3(=NC(=O)c2ccc(F)cc2)
- Standard InChI
- InChI=1S/C17H14FN3O2/c1-2-21-15(13-5-3-4-6-14(13)19-17(21)23)20-16(22)11-7-9-12(18)10-8-11/h3-10H,2H2,1H3,(H,19,23)/b20-15-
- Stored Murcko scaffold
- [N]1[CH]Nc2ccccc2C1=N[CH]c3ccccc3
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
- 61.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.239
- 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 · 17410778