Molecule card · MolClass #37925
14730565
14730565: 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
- 14730565Mitochondrial Fusion · compound_name
- MolClass ID
- 37925
- InChIKey
- XAIMMNFAFURVIC-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(N=NC=1C(=O)OC(C)(C)OC=1(O))c(C)c2
- Standard InChI
- InChI=1S/C14H16N2O4/c1-8-5-6-10(9(2)7-8)15-16-11-12(17)19-14(3,4)20-13(11)18/h5-7,17H,1-4H3
- Stored Murcko scaffold
- N(=Nc1ccccc1)C=2[CH]OCOC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.513
- 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 · 14730565