Molecule card · MolClass #36321
863792
863792: 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
- 863792Mitochondrial Fusion · compound_name
- MolClass ID
- 36321
- InChIKey
- AZVVIPSHNZHTHP-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)N(C)c1ncc(cc12)Br
- Standard InChI
- InChI=1S/C8H8BrN3O/c1-11-6-3-5(9)4-10-7(6)12(2)8(11)13/h3-4H,1-2H3
- Stored Murcko scaffold
- [N]1[CH][N]c2cccnc12
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 36.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.072 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.018
- 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 · 863792