Molecule card · MolClass #51871
14724256
14724256: 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
- 14724256Mitochondrial Fusion · compound_name
- MolClass ID
- 51871
- InChIKey
- OPUOQEYJBZDOGS-UHFFFAOYSA-N
- Canonical SMILES
- c1cc(cc(c1)Cl)NCc2nnc(o2)SCc3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C16H13Cl2N3OS/c17-12-6-4-11(5-7-12)10-23-16-21-20-15(22-16)9-19-14-3-1-2-13(18)8-14/h1-8,19H,9-10H2
- Stored Murcko scaffold
- n1nc(oc1SCc2ccccc2)CNc3ccccc3
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.
- 14725377#51838
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
- 76.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 366.266 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.746
- 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 · 14724256