Molecule card · MolClass #40601
848312
848312: 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
- 848312Mitochondrial Fusion · compound_name
- MolClass ID
- 40601
- InChIKey
- FNJGDIFUFSECNH-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc1ccc(cn1c2(NC(C)(C)C))Br
- Standard InChI
- InChI=1S/C12H16BrN3/c1-8-11(15-12(2,3)4)16-7-9(13)5-6-10(16)14-8/h5-7,15H,1-4H3
- Stored Murcko scaffold
- n1ccn2ccccc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 29.33 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 282.18 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.359
- 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 · 848312