Molecule card · MolClass #52330
863007
863007: 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
- 863007Mitochondrial Fusion · compound_name
- MolClass ID
- 52330
- InChIKey
- IQZYIASHIBNMCL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1coc(C)c1C(=O)CC3(O)(C(=O)Nc2cc(cc(c23)Cl)Cl)
- Standard InChI
- InChI=1S/C16H13Cl2NO4/c1-7-6-23-8(2)13(7)12(20)5-16(22)14-10(18)3-9(17)4-11(14)19-15(16)21/h3-4,6,22H,5H2,1-2H3,(H,19,21)
- Stored Murcko scaffold
- o1ccc(c1)[CH]CC2[CH]Nc3ccccc32
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
- 4
- 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
- 79.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 354.185 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.955
- 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 · 863007