Molecule card · MolClass #45589
7965976
7965976: 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
- 7965976Mitochondrial Fusion · compound_name
- MolClass ID
- 45589
- InChIKey
- CGERHBIUZWGJOT-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)OC2c3ccccc3(C(=O)N2(c1ccccc1(C)))
- Standard InChI
- InChI=1S/C17H15NO3/c1-11-7-3-6-10-15(11)18-16(20)13-8-4-5-9-14(13)17(18)21-12(2)19/h3-10,17H,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]c3ccccc3C2
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.
- Indoprofen#1808
- 24816310#32314
- 17410982#42586
- 24829797#43510
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 281.307 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.32
- 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 · 7965976