Molecule card · MolClass #37943
24815918
24815918: 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
- 24815918Mitochondrial Fusion · compound_name
- MolClass ID
- 37943
- InChIKey
- RZTMHSOPGVGFIJ-UHFFFAOYSA-N
- Canonical SMILES
- CCSc2nnc1ccc(nn12)c3ccco3
- Standard InChI
- InChI=1S/C11H10N4OS/c1-2-17-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-16-9/h3-7H,2H2,1H3
- Stored Murcko scaffold
- n1nc2ccc(nn2c1)-c3occc3
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.
- 24824036#29961
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.784
- 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 · 24815918