Molecule card · MolClass #37728
24794650
24794650: 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
- 24794650Mitochondrial Fusion · compound_name
- MolClass ID
- 37728
- InChIKey
- DZSXURXKULICAQ-UHFFFAOYSA-N
- Canonical SMILES
- CN(Cc1ccccc1)C(=O)c2nn3cccnc3(c2Cl)
- Standard InChI
- InChI=1S/C15H13ClN4O/c1-19(10-11-6-3-2-4-7-11)15(21)13-12(16)14-17-8-5-9-20(14)18-13/h2-9H,10H2,1H3
- Stored Murcko scaffold
- n1cccn2nc([CH][N]Cc3ccccc3)cc12
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.
No other molecules currently have this stored scaffold.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.5 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.743 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.291
- 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 · 24794650