Molecule card · MolClass #50849
17415506
17415506: 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
- 17415506Mitochondrial Fusion · compound_name
- MolClass ID
- 50849
- InChIKey
- NFFNWAXORUMDGQ-VQHVLOKHSA-N
- Canonical SMILES
- CC(=O)Oc3c(C=Cc1ccc2ccccc2(n1))cc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C19H13Cl2NO2/c1-12(23)24-19-14(10-15(20)11-17(19)21)7-9-16-8-6-13-4-2-3-5-18(13)22-16/h2-11H,1H3/b9-7+
- Stored Murcko scaffold
- n1c(C=Cc2ccccc2)ccc3ccccc13
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 358.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.455
- 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 · 17415506