Molecule card · MolClass #43089
851143
851143: 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
- 851143Mitochondrial Fusion · compound_name
- MolClass ID
- 43089
- InChIKey
- ZIKOALVITJAYKG-UHFFFAOYSA-N
- Canonical SMILES
- Cc4nnc5N(Cc1ccccc1)C(=O)c3c2CC(C)(C)OCc2sc3n45
- Standard InChI
- InChI=1S/C20H20N4O2S/c1-12-21-22-19-23(10-13-7-5-4-6-8-13)17(25)16-14-9-20(2,3)26-11-15(14)27-18(16)24(12)19/h4-8H,9-11H2,1-3H3
- Stored Murcko scaffold
- n1nc2n(c1)-c3sc4c(c3[CH]N2Cc5ccccc5)CCOC4
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.
- ZINC02285570#23666
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 380.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.93
- 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 · 851143