Molecule card · MolClass #51372
14744895
14744895: 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
- 14744895Mitochondrial Fusion · compound_name
- MolClass ID
- 51372
- InChIKey
- PRWWNFQBJDDXGF-UHFFFAOYSA-N
- Canonical SMILES
- O=[N+]([O-])c3ccc(Oc1ccc(F)cc1Br)c2ccncc23
- Standard InChI
- InChI=1S/C15H8BrFN2O3/c16-12-7-9(17)1-3-15(12)22-14-4-2-13(19(20)21)11-8-18-6-5-10(11)14/h1-8H
- Stored Murcko scaffold
- n1ccc2c(Oc3ccccc3)cccc2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 363.138 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.368
- 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 · 14744895