Molecule card · MolClass #49737
24786037
24786037: 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
- 24786037Mitochondrial Fusion · compound_name
- MolClass ID
- 49737
- InChIKey
- IEXGWYHQZJXMSU-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NCCOc1ccc(cc1)Cl)c2ccc3ccccc3(n2)
- Standard InChI
- InChI=1S/C18H15ClN2O2/c19-14-6-8-15(9-7-14)23-12-11-20-18(22)17-10-5-13-3-1-2-4-16(13)21-17/h1-10H,11-12H2,(H,20,22)
- Stored Murcko scaffold
- n1c(ccc2ccccc12)[CH]NCCOc3ccccc3
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.
- 24792142#49602
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.778 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.968
- 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 · 24786037