Molecule card · MolClass #38207
24707788
24707788: 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
- 24707788Mitochondrial Fusion · compound_name
- MolClass ID
- 38207
- InChIKey
- IJAYMCBLYKBUBQ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc4c(c1)nccc4(c2nnn(n2)c3ccccc3Br)
- Standard InChI
- InChI=1S/C16H10BrN5/c17-13-6-2-4-8-15(13)22-20-16(19-21-22)12-9-10-18-14-7-3-1-5-11(12)14/h1-10H
- Stored Murcko scaffold
- n1nn(nc1-c2ccnc3ccccc32)-c4ccccc4
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.
- 24707873#39483
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.188 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.745
- 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 · 24707788