Molecule card · MolClass #47182
17433059
17433059: 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
- 17433059Mitochondrial Fusion · compound_name
- MolClass ID
- 47182
- InChIKey
- WNAMEALLLJFHIN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)CC2CC(=O)N(C2(=O))c3nc(C(C)=O)c(C)s3
- Standard InChI
- InChI=1S/C18H18N2O3S/c1-10-4-6-13(7-5-10)8-14-9-15(22)20(17(14)23)18-19-16(11(2)21)12(3)24-18/h4-7,14H,8-9H2,1-3H3
- Stored Murcko scaffold
- n1ccsc1N2[CH]CC([CH]2)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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 342.414 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.537
- 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 · 17433059