Molecule card · MolClass #39403
24786861
24786861: 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
- 24786861Mitochondrial Fusion · compound_name
- MolClass ID
- 39403
- InChIKey
- LYTYFIQJQSOBMZ-UHFFFAOYSA-N
- Canonical SMILES
- Oc1ccc(cc1(O))C5Nc3ccc2ncccc2c3C=4CCCC(=O)C=45
- Standard InChI
- InChI=1S/C22H18N2O3/c25-17-9-6-12(11-19(17)27)22-21-14(3-1-5-18(21)26)20-13-4-2-10-23-15(13)7-8-16(20)24-22/h2,4,6-11,22,24-25,27H,1,3,5H2
- Stored Murcko scaffold
- n1cccc2c1ccc3NC(c4ccccc4)C=5[CH]CCCC5c32
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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 82.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.687
- 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 · 24786861