Molecule card · MolClass #44347
24821901
24821901: 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
- 24821901Mitochondrial Fusion · compound_name
- MolClass ID
- 44347
- InChIKey
- QONSTICETYKNTD-UHFFFAOYSA-N
- Canonical SMILES
- Nc1ncc(cn1)c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C10H6ClF3N4/c11-7-1-6(10(12,13)14)4-16-8(7)5-2-17-9(15)18-3-5/h1-4H,(H2,15,17,18)
- Stored Murcko scaffold
- n1cncc(c1)-c2ncccc2
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.
- 24821899#39542
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.63 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.964
- 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 · 24821901