Molecule card · MolClass #39984
24798091
24798091: 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
- 24798091Mitochondrial Fusion · compound_name
- MolClass ID
- 39984
- InChIKey
- WDFRSZHHKIQHQO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccsc1C(=O)C2CCCN(C2)Cc3cccn3c4ccccn4
- Standard InChI
- InChI=1S/C21H23N3OS/c1-16-9-13-26-21(16)20(25)17-6-4-11-23(14-17)15-18-7-5-12-24(18)19-8-2-3-10-22-19/h2-3,5,7-10,12-13,17H,4,6,11,14-15H2,1H3
- Stored Murcko scaffold
- n1ccccc1-n2cccc2CN3CCCC([CH]c4sccc4)C3
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.
- 24799512#41636
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.064
- 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 · 24798091