Molecule card · MolClass #37164
24818564
24818564: 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
- 24818564Mitochondrial Fusion · compound_name
- MolClass ID
- 37164
- InChIKey
- ZUVLFPKGXLUIKG-UHFFFAOYSA-N
- Canonical SMILES
- c1cnn(c1)Cc2ccc(nc2)Cl
- Standard InChI
- InChI=1S/C9H8ClN3/c10-9-3-2-8(6-11-9)7-13-5-1-4-12-13/h1-6H,7H2
- Stored Murcko scaffold
- n1cccc(c1)Cn2nccc2
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.
- 3712323#33339
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 30.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 193.633 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.766
- 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 · 24818564