Molecule card · MolClass #50732
17434141
17434141: 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
- 17434141Mitochondrial Fusion · compound_name
- MolClass ID
- 50732
- InChIKey
- QUHAGFXUEAOZFL-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c2c(c1ccc(F)cc1s2)Cl)N3CCN(CC3)c4ccccc4
- Standard InChI
- InChI=1S/C19H16ClFN2OS/c20-17-15-7-6-13(21)12-16(15)25-18(17)19(24)23-10-8-22(9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2
- Stored Murcko scaffold
- s1c(cc2ccccc12)[CH]N3CCN(c4ccccc4)CC3
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.
- 17506695#35066
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.79 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 374.861 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.638
- 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 · 17434141