Molecule card · MolClass #47171
7971170
7971170: 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
- 7971170Mitochondrial Fusion · compound_name
- MolClass ID
- 47171
- InChIKey
- FWFHDZYVWKIYHF-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c1ccc(cc1)NC(=O)C3=CN=C2N(C(C)=CS2)C3(=O)
- Standard InChI
- InChI=1S/C16H13N3O4S/c1-9-8-24-16-17-7-12(14(21)19(9)16)13(20)18-11-5-3-10(4-6-11)15(22)23-2/h3-8H,1-2H3,(H,18,20)
- Stored Murcko scaffold
- N=1C=C([CH]Nc2ccccc2)[CH]N3C=CSC13
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 113.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.956
- 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 · 7971170