Molecule card · MolClass #40507
14733246
14733246: 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
- 14733246Mitochondrial Fusion · compound_name
- MolClass ID
- 40507
- InChIKey
- NGVXGDBREUOUDB-UHFFFAOYSA-N
- Canonical SMILES
- Cc3ccccc3(NC(C2=C(O)c1c(ccs1)N(C)S2(=O)(=O))=S)
- Standard InChI
- InChI=1S/C15H14N2O3S3/c1-9-5-3-4-6-10(9)16-15(21)14-12(18)13-11(7-8-22-13)17(2)23(14,19)20/h3-8,18H,1-2H3,(H,16,21)
- Stored Murcko scaffold
- s1ccc2NSC([CH]Nc3ccccc3)=Cc12
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 138.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.482 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.445
- 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 · 14733246