Molecule card · MolClass #45737
24819238
24819238: 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
- 24819238Mitochondrial Fusion · compound_name
- MolClass ID
- 45737
- InChIKey
- XEUXXUZFASVGLQ-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)C=2CC(CNc1ncc(cc1Cl)C(F)(F)F)ON=2
- Standard InChI
- InChI=1S/C11H9ClF3N3O3/c12-7-1-5(11(13,14)15)3-16-9(7)17-4-6-2-8(10(19)20)18-21-6/h1,3,6H,2,4H2,(H,16,17)(H,19,20)
- Stored Murcko scaffold
- N=1OC(CC1)CNc2ncccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.656 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.55
- 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 · 24819238