Molecule card · MolClass #36992
24823484
24823484: 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
- 24823484Mitochondrial Fusion · compound_name
- MolClass ID
- 36992
- InChIKey
- OPFJUIZMQIXZSP-UHFFFAOYSA-N
- Canonical SMILES
- Oc3c4nc1ccccc1c4(nc2n3(CCS2))
- Standard InChI
- InChI=1S/C12H9N3OS/c16-11-10-9(14-12-15(11)5-6-17-12)7-3-1-2-4-8(7)13-10/h1-4,16H,5-6H2
- Stored Murcko scaffold
- n1c2ccccc2c-3nc4SCCn4cc13
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.
- 24823358#37563
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.286 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.669
- 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 · 24823484