Molecule card · MolClass #41536
17411276
17411276: 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
- 17411276Mitochondrial Fusion · compound_name
- MolClass ID
- 41536
- InChIKey
- QJDSYRXWISKBJN-UHFFFAOYSA-N
- Canonical SMILES
- Oc3nnc(Cc1ccc(o1)c2ccc(cc2)Cl)c4ccccc34
- Standard InChI
- InChI=1S/C19H13ClN2O2/c20-13-7-5-12(6-8-13)18-10-9-14(24-18)11-17-15-3-1-2-4-16(15)19(23)22-21-17/h1-10H,11H2,(H,22,23)
- Stored Murcko scaffold
- n1nc(c2ccccc2c1)Cc3oc(cc3)-c4ccccc4
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.
- 17410993#41526
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 336.772 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.644
- 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 · 17411276