Molecule card · MolClass #51992
7971464
7971464: 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
- 7971464Mitochondrial Fusion · compound_name
- MolClass ID
- 51992
- InChIKey
- CSGYNROSKNDKIS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1C(=O)Nc2nnc(o2)c3ccc(F)cc3
- Standard InChI
- InChI=1S/C16H12FN3O2/c1-10-4-2-3-5-13(10)14(21)18-16-20-19-15(22-16)11-6-8-12(17)9-7-11/h2-9H,1H3,(H,18,20,21)
- Stored Murcko scaffold
- n1nc(oc1N[CH]c2ccccc2)-c3ccccc3
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
- 68.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.953
- 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 · 7971464