Molecule card · MolClass #49238
24816369
24816369: 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
- 24816369Mitochondrial Fusion · compound_name
- MolClass ID
- 49238
- InChIKey
- CGLAKNACPKDPPR-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccccc3(c1ccc(nn1)SCc2cccc(C)c2)
- Standard InChI
- InChI=1S/C19H18N2OS/c1-14-6-5-7-15(12-14)13-23-19-11-10-17(20-21-19)16-8-3-4-9-18(16)22-2/h3-12H,13H2,1-2H3
- Stored Murcko scaffold
- n1nc(ccc1SCc2ccccc2)-c3ccccc3
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
- 2
- 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
- 60.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.426 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.597
- 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 · 24816369