Molecule card · MolClass #44068
7967676
7967676: 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
- 7967676Mitochondrial Fusion · compound_name
- MolClass ID
- 44068
- InChIKey
- ZIVSRJXOYCWDLP-UHFFFAOYSA-N
- Canonical SMILES
- CC(c1ccccc1)Sc4nnc(CN3C(=O)Sc2ccccc23)n4(C)
- Standard InChI
- InChI=1S/C19H18N4OS2/c1-13(14-8-4-3-5-9-14)25-18-21-20-17(22(18)2)12-23-15-10-6-7-11-16(15)26-19(23)24/h3-11,13H,12H2,1-2H3
- Stored Murcko scaffold
- n1nc([nH]c1SCc2ccccc2)CN3[CH]Sc4ccccc43
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.505 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.906
- 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 · 7967676