Molecule card · MolClass #51127
17407524
17407524: 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
- 17407524Mitochondrial Fusion · compound_name
- MolClass ID
- 51127
- InChIKey
- MRRFPRCSYHABQW-ULJHMMPZSA-N
- Canonical SMILES
- CCOC(=O)C(=Cc2c3ccccc3(cc1ccccc12))NC(=O)c4ccccc4
- Standard InChI
- InChI=1S/C26H21NO3/c1-2-30-26(29)24(27-25(28)18-10-4-3-5-11-18)17-23-21-14-8-6-12-19(21)16-20-13-7-9-15-22(20)23/h3-17H,2H2,1H3,(H,27,28)/b24-17-
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC=Cc2c3ccccc3cc4ccccc42
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.
No other molecules currently have this stored scaffold.
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
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 395.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.481
- 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 · 17407524