Molecule card · MolClass #48574
853006
853006: 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
- 853006Mitochondrial Fusion · compound_name
- MolClass ID
- 48574
- InChIKey
- UDOPITICNQWATG-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CC2NC(=O)N(c1ccc(cc1)Cl)C2(=O)
- Standard InChI
- InChI=1S/C11H9ClN2O4/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)
- Stored Murcko scaffold
- c1ccc(cc1)N2[CH]NC[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.
- LOPAC 01096#806
- 14741258#46114
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 268.654 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.513
- 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 · 853006