Molecule card · MolClass #43580
24789684
24789684: 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
- 24789684Mitochondrial Fusion · compound_name
- MolClass ID
- 43580
- InChIKey
- YYTLACIFLNWFLC-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(C)c2nc3c(cc12)cc(C(=O)O)s3
- Standard InChI
- InChI=1S/C14H11NO2S/c1-7-3-4-8(2)12-10(7)5-9-6-11(14(16)17)18-13(9)15-12/h3-6H,1-2H3,(H,16,17)
- Stored Murcko scaffold
- n1c2sccc2cc3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 257.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.892
- 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 · 24789684