Molecule card · MolClass #40769
24819256
24819256: 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
- 24819256Mitochondrial Fusion · compound_name
- MolClass ID
- 40769
- InChIKey
- JLMVDMHMPPBSHX-UHFFFAOYSA-N
- Canonical SMILES
- Oc1noc(O)c1c2ncc(cc2Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-14-6(4)5-7(16)15-18-8(5)17/h1-2,17H,(H,15,16)
- Stored Murcko scaffold
- n1occ(c1)-c2ncccc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 79.38 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.588 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.991
- 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 · 24819256