Molecule card · MolClass #42607
24832055
24832055: 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
- 24832055Mitochondrial Fusion · compound_name
- MolClass ID
- 42607
- InChIKey
- SQMQOJWODGYNSD-UHFFFAOYSA-N
- Canonical SMILES
- CCCN2C(=O)N(C)C(=O)c1c2(nc(CC(C)C)nc1S)
- Standard InChI
- InChI=1S/C14H20N4O2S/c1-5-6-18-11-10(13(19)17(4)14(18)20)12(21)16-9(15-11)7-8(2)3/h8H,5-7H2,1-4H3,(H,15,16,21)
- Stored Murcko scaffold
- n1cnc2ncncc2c1
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.
- 24834473#42780
- COC(=O)CSc1nc(C)nc2N(C)C(=O)N(C)C(=O)c12#151634
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.401 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.093
- 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 · 24832055