Molecule card · MolClass #40726
24820435
24820435: 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
- 24820435Mitochondrial Fusion · compound_name
- MolClass ID
- 40726
- InChIKey
- SGPWOXLICCUHMN-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c2c(O)c1=NN(C(=O)C=c1s2)c3cccc(c3)C(F)(F)F
- Standard InChI
- InChI=1S/C15H9F3N2O4S/c1-24-14(23)13-12(22)11-9(25-13)6-10(21)20(19-11)8-4-2-3-7(5-8)15(16,17)18/h2-6,22H,1H3
- Stored Murcko scaffold
- N1=c2ccsc2=C[CH]N1c3ccccc3
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
- 6
- 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
- 107.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.479
- 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 · 24820435