Molecule card · MolClass #36363
22414057
22414057: 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
- 22414057Mitochondrial Fusion · compound_name
- MolClass ID
- 36363
- InChIKey
- OMQQJLDPLJSIJM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1[nH]c2cc3nc([nH]c3(cc2(n1)))C(F)(F)F
- Standard InChI
- InChI=1S/C10H5F3N4/c1-4-14-5-2-7-8(3-6(5)15-4)17-9(16-7)10(11,12)13/h2-3H,1H3
- Stored Murcko scaffold
- n1c[nH]c2cc3nc[nH]c3cc12
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 240.185 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.783
- 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 · 22414057