Molecule card · MolClass #51488
14740750
14740750: 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
- 14740750Mitochondrial Fusion · compound_name
- MolClass ID
- 51488
- InChIKey
- FWZCPAVCZDSLJB-UHFFFAOYSA-N
- Canonical SMILES
- CCOc1ccc(c(O)c1)c3nc(N)ncc3(Oc2ccccc2Br)
- Standard InChI
- InChI=1S/C18H16BrN3O3/c1-2-24-11-7-8-12(14(23)9-11)17-16(10-21-18(20)22-17)25-15-6-4-3-5-13(15)19/h3-10,23H,2H2,1H3,(H2,20,21,22)
- Stored Murcko scaffold
- n1cnc(c(Oc2ccccc2)c1)-c3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 402.242 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.88
- 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 · 14740750