Molecule card · MolClass #39076
857065
857065: 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
- 857065Mitochondrial Fusion · compound_name
- MolClass ID
- 39076
- InChIKey
- YDZZWVSGBXQNGF-UHFFFAOYSA-N
- Canonical SMILES
- COc3cc1c(nc(C)s1)c2c3(ccs2)
- Standard InChI
- InChI=1S/C11H9NOS2/c1-6-12-10-9(15-6)5-8(13-2)7-3-4-14-11(7)10/h3-5H,1-2H3
- Stored Murcko scaffold
- n1csc2ccc3ccsc3c12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.328 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.48
- 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 · 857065