Molecule card · MolClass #51476
14741767
14741767: 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
- 14741767Mitochondrial Fusion · compound_name
- MolClass ID
- 51476
- InChIKey
- FHHASPRPAFEHOX-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)C2OC(=NN2(C(C)=O))c3cccc(c3)Cl
- Standard InChI
- InChI=1S/C19H19ClN2O2/c1-12(2)14-7-9-15(10-8-14)19-22(13(3)23)21-18(24-19)16-5-4-6-17(20)11-16/h4-12,19H,1-3H3
- Stored Murcko scaffold
- N=1[N]C(OC1c2ccccc2)c3ccccc3
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.
- 24801384#49457
- 24789407#49648
- 14741496#51467
- [O-][N+](=O)c1ccc(C)cc1C1OC(N(N=1)C(C)=O)c1cc(OC)c(OC)c(OC)c1#154176
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.82 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.178
- 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 · 14741767