Molecule card · MolClass #51827
14726810
14726810: 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
- 14726810Mitochondrial Fusion · compound_name
- MolClass ID
- 51827
- InChIKey
- HDOYMMIUGNIHII-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1ccc(c(c1)Cl)N2CCCCC2)c3ccc4OCCOc4(c3)
- Standard InChI
- InChI=1S/C20H21ClN2O3/c21-16-13-15(5-6-17(16)23-8-2-1-3-9-23)22-20(24)14-4-7-18-19(12-14)26-11-10-25-18/h4-7,12-13H,1-3,8-11H2,(H,22,24)
- Stored Murcko scaffold
- O1c2ccc([CH]Nc3ccc(cc3)N4CCCCC4)cc2OCC1
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.846 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.16
- 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 · 14726810