Molecule card · MolClass #36478
24818307
24818307: 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
- 24818307Mitochondrial Fusion · compound_name
- MolClass ID
- 36478
- InChIKey
- GIHLOYIOGWLQNV-UHFFFAOYSA-N
- Canonical SMILES
- CN1C(=O)C=C(N(C)C1(=O))N2CCOCC2
- Standard InChI
- InChI=1S/C10H15N3O3/c1-11-8(13-3-5-16-6-4-13)7-9(14)12(2)10(11)15/h7H,3-6H2,1-2H3
- Stored Murcko scaffold
- n1cnc(cc1)N2CCOCC2
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
- 6
- 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
- 53.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 225.245 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.17
- 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 · 24818307