Molecule card · MolClass #36579
24806967
24806967: 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
- 24806967Mitochondrial Fusion · compound_name
- MolClass ID
- 36579
- InChIKey
- YDBLCMRELHNREX-UHFFFAOYSA-N
- Canonical SMILES
- CC3=NN4c1ccccc1N(CC(=O)c2cccs2)C4(=NC3(=O))
- Standard InChI
- InChI=1S/C16H12N4O2S/c1-10-15(22)17-16-19(9-13(21)14-7-4-8-23-14)11-5-2-3-6-12(11)20(16)18-10/h2-8H,9H2,1H3
- Stored Murcko scaffold
- N=1[CH]C=NN2C1N(c3ccccc32)C[CH]c4sccc4
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.
- 24783279#37009
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 93.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.648
- 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 · 24806967