Molecule card · MolClass #38640
24807020
24807020: 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
- 24807020Mitochondrial Fusion · compound_name
- MolClass ID
- 38640
- InChIKey
- GCBFSCSGHCLRLQ-UHFFFAOYSA-N
- Canonical SMILES
- CNc1ccc2nnc(n2(n1))C(F)(F)C(F)(F)C(F)(F)F
- Standard InChI
- InChI=1S/C9H6F7N5/c1-17-4-2-3-5-18-19-6(21(5)20-4)7(10,11)8(12,13)9(14,15)16/h2-3H,1H3,(H,17,20)
- Stored Murcko scaffold
- n1nc2cccnn2c1
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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.167 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.016
- 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 · 24807020