Molecule card · MolClass #36832
22413001
22413001: 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
- 22413001Mitochondrial Fusion · compound_name
- MolClass ID
- 36832
- InChIKey
- VNNOMGVHZFZWLD-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)OC(=O)NC1CONC1(=O)
- Standard InChI
- InChI=1S/C8H14N2O4/c1-8(2,3)14-7(12)9-5-4-13-10-6(5)11/h5H,4H2,1-3H3,(H,9,12)(H,10,11)
- Stored Murcko scaffold
- O1N[CH]CC1
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.
- LOPAC 00751#158
- D-cycloserine#1917
- (S)-(-)-Cycloserine#1919
- 22413213#27409
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.208 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.832
- 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 · 22413001