Molecule card · MolClass #52529
843189
843189: 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
- 843189Mitochondrial Fusion · compound_name
- MolClass ID
- 52529
- InChIKey
- PHNZFWATFPQUKP-UHFFFAOYSA-N
- Canonical SMILES
- O=C(CN1CCc2ccccc2(C1))Nc3ccccc3N4CCCCCC4
- Standard InChI
- InChI=1S/C23H29N3O/c27-23(18-25-16-13-19-9-3-4-10-20(19)17-25)24-21-11-5-6-12-22(21)26-14-7-1-2-8-15-26/h3-6,9-12H,1-2,7-8,13-18H2,(H,24,27)
- Stored Murcko scaffold
- c1ccc(c(c1)N[CH]CN2Cc3ccccc3CC2)N4CCCCCC4
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.497 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.908
- 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 · 843189