Molecule card · MolClass #38821
24822892
24822892: 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
- 24822892Mitochondrial Fusion · compound_name
- MolClass ID
- 38821
- InChIKey
- JSJJZYVAUBHMLJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccccc1N2C(=O)CSC2(=C(C#N)C#N)
- Standard InChI
- InChI=1S/C13H9N3OS/c1-9-4-2-3-5-11(9)16-12(17)8-18-13(16)10(6-14)7-15/h2-5H,8H2,1H3
- Stored Murcko scaffold
- S1[CH]N([CH]C1)c2ccccc2
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 255.297 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.167
- 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 · 24822892