Molecule card · MolClass #24920
4192-0467
4192-0467: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 4192-0467Compound aggregation · compound_name14727160Mitochondrial Fusion · compound_name
- MolClass ID
- 24920
- InChIKey
- HFXYIGHFRVRPOZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)C(=O)NCC3OCCc2ccccc23
- Standard InChI
- InChI=1S/C18H19NO3/c1-21-15-8-6-14(7-9-15)18(20)19-12-17-16-5-3-2-4-13(16)10-11-22-17/h2-9,17H,10-12H2,1H3,(H,19,20)
- Stored Murcko scaffold
- O1CCc2ccccc2C1CN[CH]c3ccccc3
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.
- 4258700#38957
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.811
- 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.
Compound aggregation
Dataset #16 · 4192-0467
Mitochondrial Fusion
Dataset #19 · 14727160