Molecule card · MolClass #51133
17407610
17407610: 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
- 17407610Mitochondrial Fusion · compound_name
- MolClass ID
- 51133
- InChIKey
- GYBXALQFPOKXLG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(o1)C(C(=O)NC2CCCC2)N(C(=O)Cc3cccs3)c4ccc(C)c(C)c4
- Standard InChI
- InChI=1S/C26H30N2O3S/c1-17-10-12-21(15-18(17)2)28(24(29)16-22-9-6-14-32-22)25(23-13-11-19(3)31-23)26(30)27-20-7-4-5-8-20/h6,9-15,20,25H,4-5,7-8,16H2,1-3H3,(H,27,30)
- Stored Murcko scaffold
- o1cccc1C([CH]NC2CCCC2)N([CH]Cc3sccc3)c4ccccc4
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 450.595 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.822
- 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 · 17407610