Molecule card · MolClass #40256
24821057
24821057: 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
- 24821057Mitochondrial Fusion · compound_name
- MolClass ID
- 40256
- InChIKey
- HEABZEYPQCAVNC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C=2CC(CNC(=O)c1ccccc1Cl)ON=2
- Standard InChI
- InChI=1S/C14H15ClN2O4/c1-2-20-14(19)12-7-9(21-17-12)8-16-13(18)10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,18)
- Stored Murcko scaffold
- N=1OC(CC1)CN[CH]c2ccccc2
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.
- 24819736#45988
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 76.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.733 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.652
- 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 · 24821057