Molecule card · MolClass #43133
17510565
17510565: 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
- 17510565Mitochondrial Fusion · compound_name
- MolClass ID
- 43133
- InChIKey
- ZHRSARYFPYGZLY-MKGVMWAWSA-N
- Canonical SMILES
- CC(C)S(=O)(=O)C4=NSC3=NC(=O)C(=Cc1ccc(o1)c2ccccc2)C(=N)N34
- Standard InChI
- InChI=1S/C19H16N4O4S2/c1-11(2)29(25,26)19-22-28-18-21-17(24)14(16(20)23(18)19)10-13-8-9-15(27-13)12-6-4-3-5-7-12/h3-11,20H,1-2H3/b14-10-,20-16?
- Stored Murcko scaffold
- N=1SC2=N[CH]C(=Cc3oc(cc3)-c4ccccc4)[CH]N2C1
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
- 149.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 428.488 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.715
- 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 · 17510565