Molecule card · MolClass #44289
24805653
24805653: 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
- 24805653Mitochondrial Fusion · compound_name
- MolClass ID
- 44289
- InChIKey
- RYFDPSFBQBOYFS-NXVVXOECSA-N
- Canonical SMILES
- CCc2cc(C(=O)OC)c(NC(=O)CC1C(=O)N(C)C(=NC)S1)s2
- Standard InChI
- InChI=1S/C15H19N3O4S2/c1-5-8-6-9(14(21)22-4)12(23-8)17-11(19)7-10-13(20)18(3)15(16-2)24-10/h6,10H,5,7H2,1-4H3,(H,17,19)/b16-15-
- Stored Murcko scaffold
- [N]1[CH]SC([CH]1)C[CH]Nc2sccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 141.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.391
- 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 · 24805653