Molecule card · MolClass #51132
17406802
17406802: 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
- 17406802Mitochondrial Fusion · compound_name
- MolClass ID
- 51132
- InChIKey
- WUVPZRWDZUMKIA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)NC(NCCc2ccccc2)C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C18H19Cl3N2O/c1-13-6-5-9-15(12-13)16(24)23-17(18(19,20)21)22-11-10-14-7-3-2-4-8-14/h2-9,12,17,22H,10-11H2,1H3,(H,23,24)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NCNCCc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.716 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.356
- 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 · 17406802