Molecule card · MolClass #36559
24708076
24708076: 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
- 24708076Mitochondrial Fusion · compound_name
- MolClass ID
- 36559
- InChIKey
- TXLMSALKWIXIAJ-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(c(c1)n2nnc(n2)c3cccnc3Cl)Br
- Standard InChI
- InChI=1S/C12H7BrClN5/c13-9-5-1-2-6-10(9)19-17-12(16-18-19)8-4-3-7-15-11(8)14/h1-7H
- Stored Murcko scaffold
- n1nn(nc1-c2cnccc2)-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.
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
- 336.574 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.101
- 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 · 24708076