Molecule card · MolClass #37482
24812054
24812054: 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
- 24812054Mitochondrial Fusion · compound_name
- MolClass ID
- 37482
- InChIKey
- LEFORVJLCSBHTR-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2nc(c3nnnn3(c2(c1)))Cl
- Standard InChI
- InChI=1S/C9H6ClN5/c1-5-2-3-6-7(4-5)15-9(8(10)11-6)12-13-14-15/h2-4H,1H3
- Stored Murcko scaffold
- n1nc2cnc3ccccc3n2n1
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.
- 3119275#15495
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
- 55.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 219.631 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.892
- 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 · 24812054