Molecule card · MolClass #50807
17432607
17432607: 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
- 17432607Mitochondrial Fusion · compound_name
- MolClass ID
- 50807
- InChIKey
- QYRFUAMRNAKEET-JLPGSUDCSA-N
- Canonical SMILES
- c1ccc(cc1)c3cc(nc(NN=Cc2cccnc2)n3)c4ccccc4
- Standard InChI
- InChI=1S/C22H17N5/c1-3-9-18(10-4-1)20-14-21(19-11-5-2-6-12-19)26-22(25-20)27-24-16-17-8-7-13-23-15-17/h1-16H,(H,25,26,27)/b24-16-
- Stored Murcko scaffold
- n1cccc(c1)C=NNc2nc(cc(n2)-c3ccccc3)-c4ccccc4
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.405 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.582
- 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 · 17432607