Molecule card · MolClass #48654
14722464
14722464: 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
- 14722464Mitochondrial Fusion · compound_name
- MolClass ID
- 48654
- InChIKey
- GWFBHDILRDPPML-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1S(=O)(=O)NCCO)c3nnc(O)c2ccccc23
- Standard InChI
- InChI=1S/C17H17N3O4S/c1-11-6-7-12(10-15(11)25(23,24)18-8-9-21)16-13-4-2-3-5-14(13)17(22)20-19-16/h2-7,10,18,21H,8-9H2,1H3,(H,20,22)
- Stored Murcko scaffold
- n1nc(-c2ccccc2)c3ccccc3c1
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 120.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 359.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.923
- 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 · 14722464