Molecule card · MolClass #36977
24819752
24819752: 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
- 24819752Mitochondrial Fusion · compound_name
- MolClass ID
- 36977
- InChIKey
- COWHMGVDJSMPII-ONEGZZNKSA-N
- Canonical SMILES
- CN(C)C=CC(=O)C2=CN=C1N(CCS1)C2(=O)
- Standard InChI
- InChI=1S/C11H13N3O2S/c1-13(2)4-3-9(15)8-7-12-11-14(10(8)16)5-6-17-11/h3-4,7H,5-6H2,1-2H3/b4-3+
- Stored Murcko scaffold
- N=1C=C[CH]N2C1SCC2
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.
- ZINC14031963#23717
- 7969796#28155
- 4246208#37959
- CCOC(=O)C1=CN=C2SCCN2C1=O#154852
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.026
- 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 · 24819752