Molecule card · MolClass #39065
24836847
24836847: 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
- 24836847Mitochondrial Fusion · compound_name
- MolClass ID
- 39065
- InChIKey
- WWQDWEWPBYEPRB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(O)nc(n1)SCc3cccc2cccnc23
- Standard InChI
- InChI=1S/C15H13N3OS/c1-10-8-13(19)18-15(17-10)20-9-12-5-2-4-11-6-3-7-16-14(11)12/h2-8H,9H2,1H3,(H,17,18,19)
- Stored Murcko scaffold
- n1cccnc1SCc2cccc3cccnc32
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.35 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.745
- 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 · 24836847