Molecule card · MolClass #49538
24793403
24793403: 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
- 24793403Mitochondrial Fusion · compound_name
- MolClass ID
- 49538
- InChIKey
- SOUQJSULOJWRAI-VMPITWQZSA-N
- Canonical SMILES
- Oc3ccc(cc3(C=Cc1ccc2cccc(O)c2(n1)))Cl
- Standard InChI
- InChI=1S/C17H12ClNO2/c18-13-6-9-15(20)12(10-13)5-8-14-7-4-11-2-1-3-16(21)17(11)19-14/h1-10,20-21H/b8-5+
- Stored Murcko scaffold
- n1c(C=Cc2ccccc2)ccc3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.736 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.236
- 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 · 24793403