Molecule card · MolClass #47248
24833134
24833134: 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
- 24833134Mitochondrial Fusion · compound_name
- MolClass ID
- 47248
- InChIKey
- JLGWAIBJIFJPRK-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cc1)n2nnnc2SCC3=CC(=O)N4C=CSC4(=N3)
- Standard InChI
- InChI=1S/C14H10N6O2S2/c21-11-3-1-10(2-4-11)20-14(16-17-18-20)24-8-9-7-12(22)19-5-6-23-13(19)15-9/h1-7,21H,8H2
- Stored Murcko scaffold
- n1nc(SCC=2N=C3SC=CN3[CH]C2)n(n1)-c4ccccc4
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 147.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.764
- 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 · 24833134