Molecule card · MolClass #50606
17507193
17507193: 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
- 17507193Mitochondrial Fusion · compound_name
- MolClass ID
- 50606
- InChIKey
- YHNRWYMFUPQKJZ-WSDLNYQXSA-N
- Canonical SMILES
- CC(C)c1ccc(C)c(c1)OCC(=O)NN=Cc2ccc3OCCOc3(c2)
- Standard InChI
- InChI=1S/C21H24N2O4/c1-14(2)17-6-4-15(3)19(11-17)27-13-21(24)23-22-12-16-5-7-18-20(10-16)26-9-8-25-18/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,23,24)/b22-12+
- Stored Murcko scaffold
- N(=Cc1ccc2OCCOc2c1)N[CH]COc3ccccc3
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
- 3
- 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
- 69.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.427 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.659
- 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 · 17507193