Molecule card · MolClass #36269
24821443
24821443: 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
- 24821443Mitochondrial Fusion · compound_name
- MolClass ID
- 36269
- InChIKey
- XZMYIHBAXDNGDX-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)c2cnc3c(c(C)nn3(c2))Cl
- Standard InChI
- InChI=1S/C14H12ClN3/c1-9-3-5-11(6-4-9)12-7-16-14-13(15)10(2)17-18(14)8-12/h3-8H,1-2H3
- Stored Murcko scaffold
- n1cc(cn2nccc12)-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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.719 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.674
- 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 · 24821443