Molecule card · MolClass #36300
17410440
17410440: 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
- 17410440Mitochondrial Fusion · compound_name
- MolClass ID
- 36300
- InChIKey
- SFHZNXLQPHCDGF-UHFFFAOYSA-N
- Canonical SMILES
- N#Cc1cnn2cc(cnc12)c3ncc(cc3Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C13H5ClF3N5/c14-10-1-9(13(15,16)17)5-19-11(10)8-3-20-12-7(2-18)4-21-22(12)6-8/h1,3-6H
- Stored Murcko scaffold
- n1ccccc1-c2cnc3ccnn3c2
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.
- 24821234#36569
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.661 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.504
- 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 · 17410440