Molecule card · MolClass #47713
17415407
17415407: 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
- 17415407Mitochondrial Fusion · compound_name
- MolClass ID
- 47713
- InChIKey
- UERKEUZFSMPVBM-RGEXLXHISA-N
- Canonical SMILES
- CCOc1ccccc1N5C(=O)NC(=O)C(=Cc2ccc4CCc3cccc2c34)C5(=O)
- Standard InChI
- InChI=1S/C25H20N2O4/c1-2-31-21-9-4-3-8-20(21)27-24(29)19(23(28)26-25(27)30)14-17-13-12-16-11-10-15-6-5-7-18(17)22(15)16/h3-9,12-14H,2,10-11H2,1H3,(H,26,28,30)/b19-14-
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]N[CH]C(=Cc3ccc4c5c3cccc5CC4)[CH]2
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
- 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
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 412.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.328
- 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 · 17415407