Molecule card · MolClass #47422
24790784
24790784: 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
- 24790784Mitochondrial Fusion · compound_name
- MolClass ID
- 47422
- InChIKey
- CZHVENDPUHCMGJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1Cl)NC(=O)Cn2nc(C)c(c2(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C14H15ClN4O3/c1-8-4-5-11(6-12(8)15)16-13(20)7-18-10(3)14(19(21)22)9(2)17-18/h4-6H,7H2,1-3H3,(H,16,20)
- Stored Murcko scaffold
- n1cccn1C[CH]Nc2ccccc2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.747 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.817
- 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 · 24790784