Molecule card · MolClass #37959
4246208
4246208: 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
- 4246208Mitochondrial Fusion · compound_name
- MolClass ID
- 37959
- InChIKey
- SWGYTMMYJUUIPM-UHFFFAOYSA-N
- Canonical SMILES
- CCCCNC(=O)C2=CN=C1N(CCS1)C2(=O)
- Standard InChI
- InChI=1S/C11H15N3O2S/c1-2-3-4-12-9(15)8-7-13-11-14(10(8)16)5-6-17-11/h7H,2-6H2,1H3,(H,12,15)
- 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
- 24819752#36977
- 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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 87.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.751
- 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 · 4246208