Molecule card · MolClass #37174
24811079
24811079: 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
- 24811079Mitochondrial Fusion · compound_name
- MolClass ID
- 37174
- InChIKey
- WZFCSEVBBUMSFX-WAYWQWQTSA-N
- Canonical SMILES
- CN(CCO)C=C1C(=O)CNC1(=O)
- Standard InChI
- InChI=1S/C8H12N2O3/c1-10(2-3-11)5-6-7(12)4-9-8(6)13/h5,11H,2-4H2,1H3,(H,9,13)/b6-5-
- Stored Murcko scaffold
- [CH]1[CH]NC[CH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 184.193 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.743
- 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 · 24811079