Molecule card · MolClass #43677
22407767
22407767: 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
- 22407767Mitochondrial Fusion · compound_name
- MolClass ID
- 43677
- InChIKey
- CXYGPHVOWZEUHA-UHFFFAOYSA-N
- Canonical SMILES
- c1ccc(cc1)OCCSC3=NN(c2ccccc2)C(=S)S3
- Standard InChI
- InChI=1S/C16H14N2OS3/c20-16-18(13-7-3-1-4-8-13)17-15(22-16)21-12-11-19-14-9-5-2-6-10-14/h1-10H,11-12H2
- Stored Murcko scaffold
- N1=C(S[CH]N1c2ccccc2)SCCOc3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.52 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 346.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.462
- 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 · 22407767