Molecule card · MolClass #15749
1942656
1942656: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14741911Mitochondrial Fusion · compound_name
- MolClass ID
- 15749
- InChIKey
- DDGUCBCVEHBVFL-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(C(=O)NNC=1CCCC=1(C(=O)C(F)(F)F))c2(O)
- Standard InChI
- InChI=1S/C15H15F3N2O3/c1-8-4-2-6-10(12(8)21)14(23)20-19-11-7-3-5-9(11)13(22)15(16,17)18/h2,4,6,19,21H,3,5,7H2,1H3,(H,20,23)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NNC2=CCCC2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.287 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.714
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1942656
Mitochondrial Fusion
Dataset #19 · 14741911