Molecule card · MolClass #38592
17403109
17403109: 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
- 17403109Mitochondrial Fusion · compound_name
- MolClass ID
- 38592
- InChIKey
- LIDLKMDEIDZUCA-UHFFFAOYSA-N
- Canonical SMILES
- CCCCN2C(=O)C=3C(=O)C=C(O)OC=3(c1ccccc12)
- Standard InChI
- InChI=1S/C16H15NO4/c1-2-3-8-17-11-7-5-4-6-10(11)15-14(16(17)20)12(18)9-13(19)21-15/h4-7,9,19H,2-3,8H2,1H3
- Stored Murcko scaffold
- n1cc2[CH]C=COc2c3ccccc13
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.
- 17402577#37279
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 285.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.721
- 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 · 17403109