Molecule card · MolClass #42598
14730292
14730292: 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
- 14730292Mitochondrial Fusion · compound_name
- MolClass ID
- 42598
- InChIKey
- IEAMDIHJDSBRHO-VCHYOVAHSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=NNc3nnc(c2ccccc23)Cl
- Standard InChI
- InChI=1S/C16H13ClN4/c1-11-6-8-12(9-7-11)10-18-20-16-14-5-3-2-4-13(14)15(17)19-21-16/h2-10H,1H3,(H,20,21)/b18-10+
- Stored Murcko scaffold
- n1nc(NN=Cc2ccccc2)c3ccccc3c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.17 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.401
- 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 · 14730292