Molecule card · MolClass #35810
24793965
24793965: 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
- 24793965Mitochondrial Fusion · compound_name
- MolClass ID
- 35810
- InChIKey
- QPEZDIGJFPQFOH-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=NC2=C(C(=O)NN12)Br)c3ccccc3
- Standard InChI
- InChI=1S/C13H10BrN3O/c1-8-7-10(9-5-3-2-4-6-9)15-12-11(14)13(18)16-17(8)12/h2-7H,1H3,(H,16,18)
- Stored Murcko scaffold
- N1=C(C=CN2N[CH]C=C12)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.7 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.142 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.186
- 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 · 24793965