Molecule card · MolClass #36950
24816676
24816676: 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
- 24816676Mitochondrial Fusion · compound_name
- MolClass ID
- 36950
- InChIKey
- BZWYWTANUKIEGV-UHFFFAOYSA-N
- Canonical SMILES
- CC1=NN=C(N(N)C1(=O))SCc2ccccn2
- Standard InChI
- InChI=1S/C10H11N5OS/c1-7-9(16)15(11)10(14-13-7)17-6-8-4-2-3-5-12-8/h2-5H,6,11H2,1H3
- Stored Murcko scaffold
- n1nc(ncc1)SCc2ncccc2
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.
- 24824308#26499
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 109.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 249.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.657
- 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 · 24816676