Molecule card · MolClass #44372
17402955
17402955: 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
- 17402955Mitochondrial Fusion · compound_name
- MolClass ID
- 44372
- InChIKey
- JCEBMQWAMLUFEX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NC2=CC=3C(=O)CCCC=3(OC2(=O))
- Standard InChI
- InChI=1S/C17H15NO4/c1-10-5-7-11(8-6-10)16(20)18-13-9-12-14(19)3-2-4-15(12)22-17(13)21/h5-9H,2-4H2,1H3,(H,18,20)
- Stored Murcko scaffold
- O1[CH]C(=CC=2[CH]CCCC12)N[CH]c3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.306 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.419
- 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 · 17402955