Molecule card · MolClass #43843
24817146
24817146: 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
- 24817146Mitochondrial Fusion · compound_name
- MolClass ID
- 43843
- InChIKey
- ZCUYLRAQCLCTIU-YIXHJXPBSA-N
- Canonical SMILES
- Nc2nnnn2(CC(=O)NN=Cc1cc(ccc1Cl)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C10H9ClN8O3/c11-8-2-1-7(19(21)22)3-6(8)4-13-14-9(20)5-18-10(12)15-16-17-18/h1-4H,5H2,(H,14,20)(H2,12,15,17)/b13-4+
- Stored Murcko scaffold
- n1ncn(n1)C[CH]NN=Cc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 154.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.684 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.138
- 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 · 24817146