Molecule card · MolClass #45482
24831399
24831399: 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
- 24831399Mitochondrial Fusion · compound_name
- MolClass ID
- 45482
- InChIKey
- SDKPOYUHZKGXFG-UHFFFAOYSA-N
- Canonical SMILES
- CCn1c4ccccc4(nc1SCC2=CC(=O)N3C=CSC3(=N2))
- Standard InChI
- InChI=1S/C16H14N4OS2/c1-2-19-13-6-4-3-5-12(13)18-16(19)23-10-11-9-14(21)20-7-8-22-15(20)17-11/h3-9H,2,10H2,1H3
- Stored Murcko scaffold
- n1c(SCC=2N=C3SC=CN3[CH]C2)[nH]c4ccccc14
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
- 4
- 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
- 101.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.441 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.438
- 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 · 24831399