Molecule card · MolClass #47639
24799869
24799869: 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
- 24799869Mitochondrial Fusion · compound_name
- MolClass ID
- 47639
- InChIKey
- NJEFZJLRKRWAHK-LBPRGKRZSA-N
- Canonical SMILES
- NC(=O)C3CCCN3(Cc2nc(Cc1ccccc1Cl)no2)
- Standard InChI
- InChI=1S/C15H17ClN4O2/c16-11-5-2-1-4-10(11)8-13-18-14(22-19-13)9-20-7-3-6-12(20)15(17)21/h1-2,4-5,12H,3,6-9H2,(H2,17,21)/t12-/m0/s1
- Stored Murcko scaffold
- n1oc(nc1Cc2ccccc2)CN3CCCC3
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
- 4
- 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
- 85.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.775 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.612
- 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 · 24799869