Molecule card · MolClass #38774
17515483
17515483: 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
- 17515483Mitochondrial Fusion · compound_name
- MolClass ID
- 38774
- InChIKey
- NXUXUPDIDFKURE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)C4C(=O)N(C)C2(C)(CC4(c3ccccc3(O2)))
- Standard InChI
- InChI=1S/C20H21NO4S/c1-13-8-10-14(11-9-13)26(23,24)18-16-12-20(2,21(3)19(18)22)25-17-7-5-4-6-15(16)17/h4-11,16,18H,12H2,1-3H3
- Stored Murcko scaffold
- [N]1[CH]C(Sc2ccccc2)C3c4ccccc4OC1C3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.081
- 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 · 17515483