Molecule card · MolClass #47606
24826326
24826326: 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
- 24826326Mitochondrial Fusion · compound_name
- MolClass ID
- 47606
- InChIKey
- SLABZIVVNANDMK-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)C2=C(C)NC(=C(C#N)C2(c1ccco1))SCC(N)=O
- Standard InChI
- InChI=1S/C15H15N3O3S/c1-8-13(9(2)19)14(11-4-3-5-21-11)10(6-16)15(18-8)22-7-12(17)20/h3-5,14,18H,7H2,1-2H3,(H2,17,20)
- Stored Murcko scaffold
- o1cccc1C2C=CNC=C2
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.
No other molecules currently have this stored scaffold.
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 134.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 317.365 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.314
- 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 · 24826326