Molecule card · MolClass #44586
14731587
14731587: 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
- 14731587Mitochondrial Fusion · compound_name
- MolClass ID
- 44586
- InChIKey
- WPJADYVSERYNSL-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3nc(CCc1ccccc1)nn3(c(C)c2Cl)
- Standard InChI
- InChI=1S/C15H15ClN4/c1-10-14(16)11(2)20-15(17-10)18-13(19-20)9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
- Stored Murcko scaffold
- n1cccn2nc(nc12)CCc3ccccc3
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 286.76 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.182
- 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 · 14731587