Molecule card · MolClass #51276
17386836
17386836: 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
- 17386836Mitochondrial Fusion · compound_name
- MolClass ID
- 51276
- InChIKey
- URSLKGGFCHETNT-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)c3cc(C(N)=O)c(NC(=O)c2cccc(COc1ccc(cc1)Cl)c2)s3
- Standard InChI
- InChI=1S/C22H21ClN2O3S/c1-13(2)19-11-18(20(24)26)22(29-19)25-21(27)15-5-3-4-14(10-15)12-28-17-8-6-16(23)7-9-17/h3-11,13H,12H2,1-2H3,(H2,24,26)(H,25,27)
- Stored Murcko scaffold
- O(c1ccccc1)Cc2cccc([CH]Nc3sccc3)c2
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.66 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 428.934 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.3
- 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 · 17386836