Molecule card · MolClass #47086
24840439
24840439: 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
- 24840439Mitochondrial Fusion · compound_name
- MolClass ID
- 47086
- InChIKey
- GZZKBMRYPJAOKS-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)c1nc(cnc1N(C)C2(=O))NNC(=O)c3ccccc3
- Standard InChI
- InChI=1S/C15H14N6O3/c1-20-12-11(14(23)21(2)15(20)24)17-10(8-16-12)18-19-13(22)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18)(H,19,22)
- Stored Murcko scaffold
- n1cnc2ncc(nc2c1)NN[CH]c3ccccc3
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
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 326.311 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.153
- 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 · 24840439