Molecule card · MolClass #41147
24839590
24839590: 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
- 24839590Mitochondrial Fusion · compound_name
- MolClass ID
- 41147
- InChIKey
- PPPHOABFCROAJK-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(CCOc1cccc(c1)Br)c(C)c2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H14BrN3O3/c1-9-13(17(18)19)10(2)16(15-9)6-7-20-12-5-3-4-11(14)8-12/h3-5,8H,6-7H2,1-2H3
- Stored Murcko scaffold
- n1cccn1CCOc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.173 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.756
- 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 · 24839590