Molecule card · MolClass #46804
14730141
14730141: 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
- 14730141Mitochondrial Fusion · compound_name
- MolClass ID
- 46804
- InChIKey
- LWZQNUZCUYWGBU-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C=C(N(Cc1ccccc1(C))C2(=O))S(=O)(=O)c3ccc(C)cc3
- Standard InChI
- InChI=1S/C20H22N2O3S/c1-4-21-14-19(26(24,25)18-11-9-15(2)10-12-18)22(20(21)23)13-17-8-6-5-7-16(17)3/h5-12,14H,4,13H2,1-3H3
- Stored Murcko scaffold
- n1cc(Sc2ccccc2)n(c1)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.07 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 370.467 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.691
- 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 · 14730141