Molecule card · MolClass #47780
17409852
17409852: 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
- 17409852Mitochondrial Fusion · compound_name
- MolClass ID
- 47780
- InChIKey
- UXULGYVZMAYQSP-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)=CC(=O)NCc1c(cccc1Cl)n2cccc2
- Standard InChI
- InChI=1S/C16H17ClN2O/c1-12(2)10-16(20)18-11-13-14(17)6-5-7-15(13)19-8-3-4-9-19/h3-10H,11H2,1-2H3,(H,18,20)
- Stored Murcko scaffold
- c1ccc(cc1)-n2cccc2
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.
View all molecules with this scaffold →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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 34.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.773 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.587
- 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 · 17409852