Molecule card · MolClass #35989
24813119
24813119: 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
- 24813119Mitochondrial Fusion · compound_name
- MolClass ID
- 35989
- InChIKey
- XSHRDWIULUZVTR-QDEBKDIKSA-N
- Canonical SMILES
- CC1(C)(OC(=O)C(C=NC(CO)C(=O)O)=C(O)O1)
- Standard InChI
- InChI=1S/C10H13NO7/c1-10(2)17-8(15)5(9(16)18-10)3-11-6(4-12)7(13)14/h3,6,12,15H,4H2,1-2H3,(H,13,14)/b11-3+
- Stored Murcko scaffold
- O1[CH]C=COC1
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 259.213 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.399
- 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 · 24813119