Molecule card · MolClass #35812
17403059
17403059: 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
- 17403059Mitochondrial Fusion · compound_name
- MolClass ID
- 35812
- InChIKey
- MAUHVLTYEKMEQR-UHFFFAOYSA-N
- Canonical SMILES
- Nc2c3cnnc3(ncn2(Nc1ccccc1(F)))
- Standard InChI
- InChI=1S/C11H9FN6/c12-8-3-1-2-4-9(8)17-18-6-14-11-7(10(18)13)5-15-16-11/h1-6,17H,13H2
- Stored Murcko scaffold
- n1nc-2ncn(cc2c1)Nc3ccccc3
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.
- 17411796#25638
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 244.228 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.629
- 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 · 17403059