Molecule card · MolClass #36557
4263499
4263499: 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
- 4263499Mitochondrial Fusion · compound_name
- MolClass ID
- 36557
- InChIKey
- FZXGDHIJMAVCSO-YWEYNIOJSA-N
- Canonical SMILES
- Cc3ccsc3(C=C2C(=O)n1ncnc1S2)
- Standard InChI
- InChI=1S/C10H7N3OS2/c1-6-2-3-15-7(6)4-8-9(14)13-10(16-8)11-5-12-13/h2-5H,1H3/b8-4-
- Stored Murcko scaffold
- n1cnn2[CH]C(Sc12)=Cc3sccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.315 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.872
- 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 · 4263499