Molecule card · MolClass #45715
17387630
17387630: 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
- 17387630Mitochondrial Fusion · compound_name
- MolClass ID
- 45715
- InChIKey
- UDYJIEQTJRPTOM-UHFFFAOYSA-N
- Canonical SMILES
- C=CCSC3=Nc2c(cc(c1ccccc1)s2)C(=O)N3(N)
- Standard InChI
- InChI=1S/C15H13N3OS2/c1-2-8-20-15-17-13-11(14(19)18(15)16)9-12(21-13)10-6-4-3-5-7-10/h2-7,9H,1,8,16H2
- Stored Murcko scaffold
- n1cnc2sc(cc2c1)-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.416 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.349
- 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 · 17387630