Molecule card · MolClass #50643
17506343
17506343: 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
- 17506343Mitochondrial Fusion · compound_name
- MolClass ID
- 50643
- InChIKey
- UAVZHNLWRFYHRJ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1(OC))C(=O)ON=C(N)Cc2ccc(c(c2)Cl)Cl
- Standard InChI
- InChI=1S/C17H16Cl2N2O4/c1-23-14-6-4-11(9-15(14)24-2)17(22)25-21-16(20)8-10-3-5-12(18)13(19)7-10/h3-7,9H,8H2,1-2H3,(H2,20,21)
- Stored Murcko scaffold
- N(O[CH]c1ccccc1)=CCc2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 83.14 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 383.226 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.269
- 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 · 17506343