Molecule card · MolClass #51986
7974048
7974048: 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
- 7974048Mitochondrial Fusion · compound_name
- MolClass ID
- 51986
- InChIKey
- ORUZDJNOPJYODM-UHFFFAOYSA-N
- Canonical SMILES
- O=C(Nc1nc(cs1)c2ccccc2)c3ccc(o3)Br
- Standard InChI
- InChI=1S/C14H9BrN2O2S/c15-12-7-6-11(19-12)13(18)17-14-16-10(8-20-14)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
- Stored Murcko scaffold
- n1c(scc1-c2ccccc2)N[CH]c3occc3
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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 349.204 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.337
- 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 · 7974048