Molecule card · MolClass #37689
24817995
24817995: 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
- 24817995Mitochondrial Fusion · compound_name
- MolClass ID
- 37689
- InChIKey
- MBEDUFGINAMFOY-UHFFFAOYSA-N
- Canonical SMILES
- Nc2ncn(CC(=O)c1ccccc1)n2
- Standard InChI
- InChI=1S/C10H10N4O/c11-10-12-7-14(13-10)6-9(15)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,11,13)
- Stored Murcko scaffold
- n1cnn(c1)C[CH]c2ccccc2
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.
- 2061676#15919
- ZINC14143720#23600
- 857147#28537
- 51087915#31444
- 864853#42161
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
- 73.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 202.213 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.767
- 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 · 24817995