Molecule card · MolClass #43748
14722403
14722403: 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
- 14722403Mitochondrial Fusion · compound_name
- MolClass ID
- 43748
- InChIKey
- HDUBPAHYXQMZBB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CC2C(C)C(=O)N(CC(=O)O)C2(=O)
- Standard InChI
- InChI=1S/C15H17NO4/c1-9-3-5-11(6-4-9)7-12-10(2)14(19)16(15(12)20)8-13(17)18/h3-6,10,12H,7-8H2,1-2H3,(H,17,18)
- Stored Murcko scaffold
- [N]1[CH]CC([CH]1)Cc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 275.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.144
- 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 · 14722403