Molecule card · MolClass #49161
24822279
24822279: 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
- 24822279Mitochondrial Fusion · compound_name
- MolClass ID
- 49161
- InChIKey
- ZNTZYEGSMDHANA-BJMVGYQFSA-N
- Canonical SMILES
- O=C(C=Cc1cnc2ccccc2(c1))NNc3ccc(F)cc3
- Standard InChI
- InChI=1S/C18H14FN3O/c19-15-6-8-16(9-7-15)21-22-18(23)10-5-13-11-14-3-1-2-4-17(14)20-12-13/h1-12,21H,(H,22,23)/b10-5+
- Stored Murcko scaffold
- n1cc(C=C[CH]NNc2ccccc2)cc3ccccc13
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.
- 24822284#31256
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.905
- 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 · 24822279