Molecule card · MolClass #48752
851703
851703: 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
- 851703Mitochondrial Fusion · compound_name
- MolClass ID
- 48752
- InChIKey
- BFRZHIONYCPRSG-UHFFFAOYSA-N
- Canonical SMILES
- COc3ccc(CCNC(=O)c2c(O)nc1CCCCc1c2(O))cc3
- Standard InChI
- InChI=1S/C19H22N2O4/c1-25-13-8-6-12(7-9-13)10-11-20-18(23)16-17(22)14-4-2-3-5-15(14)21-19(16)24/h6-9H,2-5,10-11H2,1H3,(H,20,23)(H2,21,22,24)
- Stored Murcko scaffold
- n1cc([CH]NCCc2ccccc2)cc3c1CCCC3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.39 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.508
- 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 · 851703