Molecule card · MolClass #45284
17402686
17402686: 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
- 17402686Mitochondrial Fusion · compound_name
- MolClass ID
- 45284
- InChIKey
- WGUGWKZAAWBQOW-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccccc1)N3C=CC(=O)C(Cc2c(cccc2Cl)Cl)=C3(C)
- Standard InChI
- InChI=1S/C21H19Cl2NO/c1-14(16-7-4-3-5-8-16)24-12-11-21(25)17(15(24)2)13-18-19(22)9-6-10-20(18)23/h3-12,14H,13H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)CC=2[CH]C=CN(C2)Cc3ccccc3
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
- 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
- 20.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.288 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.163
- 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 · 17402686