Molecule card · MolClass #49236
24816182
24816182: 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
- 24816182Mitochondrial Fusion · compound_name
- MolClass ID
- 49236
- InChIKey
- HAFRFNYVRWOKPD-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(cc1)c2ccc(nn2)SC
- Standard InChI
- InChI=1S/C13H14N2OS/c1-3-16-11-6-4-10(5-7-11)12-8-9-13(17-2)15-14-12/h4-9H,3H2,1-2H3
- Stored Murcko scaffold
- n1nc(ccc1)-c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.33 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.138
- 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 · 24816182