Molecule card · MolClass #36820
24806503
24806503: 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
- 24806503Mitochondrial Fusion · compound_name
- MolClass ID
- 36820
- InChIKey
- JUGWUSGMZHMWEB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NN2C(=O)C1CC=C(CC1C2(=O))Cl)c3ccncc3
- Standard InChI
- InChI=1S/C14H12ClN3O3/c15-9-1-2-10-11(7-9)14(21)18(13(10)20)17-12(19)8-3-5-16-6-4-8/h1,3-6,10-11H,2,7H2,(H,17,19)
- Stored Murcko scaffold
- n1ccc(cc1)[CH]NN2[CH]C3CC=CCC3[CH]2
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
- 6
- 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
- 79.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.717 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.818
- 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 · 24806503