Molecule card · MolClass #42578
4256202
4256202: 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
- 4256202Mitochondrial Fusion · compound_name
- MolClass ID
- 42578
- InChIKey
- DYDGFCBOGJGMLI-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC1CCCCC1)NC2=NC(=O)C(F)(C(F)(F)F)S2
- Standard InChI
- InChI=1S/C11H13F4N3O2S/c12-10(11(13,14)15)7(19)17-9(21-10)18-8(20)16-6-4-2-1-3-5-6/h6H,1-5H2,(H2,16,17,18,19,20)
- Stored Murcko scaffold
- N=1[CH]CSC1N[CH]NC2CCCCC2
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
- 5
- 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
- 95.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 327.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.422
- 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 · 4256202