Molecule card · MolClass #39159
24828869
24828869: 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
- 24828869Mitochondrial Fusion · compound_name
- MolClass ID
- 39159
- InChIKey
- HOUPCYIHAUIMND-BQYQJAHWSA-N
- Canonical SMILES
- O=C2CC(C=Cc1cccnc1)=Nc3ccccc3(N2)
- Standard InChI
- InChI=1S/C16H13N3O/c20-16-10-13(8-7-12-4-3-9-17-11-12)18-14-5-1-2-6-15(14)19-16/h1-9,11H,10H2,(H,19,20)/b8-7+
- Stored Murcko scaffold
- n1cccc(c1)C=CC2=Nc3ccccc3N[CH]C2
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 263.295 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.112
- 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 · 24828869