Molecule card · MolClass #41078
24820385
24820385: 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
- 24820385Mitochondrial Fusion · compound_name
- MolClass ID
- 41078
- InChIKey
- GRNDEBXMZSNLCP-UHFFFAOYSA-N
- Canonical SMILES
- CC(O)C=2C=C(NC(=O)c1ccccc1)C(=O)OC=2(C)
- Standard InChI
- InChI=1S/C15H15NO4/c1-9(17)12-8-13(15(19)20-10(12)2)16-14(18)11-6-4-3-5-7-11/h3-9,17H,1-2H3,(H,16,18)
- Stored Murcko scaffold
- O1C=CC=C([CH]1)N[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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 75.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.049
- 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 · 24820385