Molecule card · MolClass #50701
17505151
17505151: 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
- 17505151Mitochondrial Fusion · compound_name
- MolClass ID
- 50701
- InChIKey
- DGMUCJVEVOZWBL-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc2OC(=O)C(=Cc2(c1))c4csc(Nc3cccc(O)c3)n4
- Standard InChI
- InChI=1S/C19H14N2O4S/c1-24-14-5-6-17-11(7-14)8-15(18(23)25-17)16-10-26-19(21-16)20-12-3-2-4-13(22)9-12/h2-10,22H,1H3,(H,20,21)
- Stored Murcko scaffold
- n1c(scc1C=2[CH]Oc3ccccc3C2)Nc4ccccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.392 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.249
- 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 · 17505151