Molecule card · MolClass #47841
24823509
24823509: 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
- 24823509Mitochondrial Fusion · compound_name
- MolClass ID
- 47841
- InChIKey
- HWKFTMMZUDOVEJ-LHHJGKSTSA-N
- Canonical SMILES
- COc2cccc(C=NN=C(N)c1nonc1(N))c2(O)
- Standard InChI
- InChI=1S/C11H12N6O3/c1-19-7-4-2-3-6(9(7)18)5-14-15-10(12)8-11(13)17-20-16-8/h2-5,18H,1H3,(H2,12,15)(H2,13,17)/b14-5+
- Stored Murcko scaffold
- N(N=Cc1ccccc1)=Cc2nonc2
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.
- 24814487#28139
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 145.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.252 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.893
- 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 · 24823509