Molecule card · MolClass #36375
4256924
4256924: 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
- 4256924Mitochondrial Fusion · compound_name
- MolClass ID
- 36375
- InChIKey
- ZUDNWEVGIZVFKE-UHFFFAOYSA-N
- Canonical SMILES
- Oc3nc2c(c1CCCCc1s2)c4nncn34
- Standard InChI
- InChI=1S/C11H10N4OS/c16-11-13-10-8(9-14-12-5-15(9)11)6-3-1-2-4-7(6)17-10/h5H,1-4H2,(H,13,16)
- Stored Murcko scaffold
- n1nc2c3c(ncn2c1)sc4c3CCCC4
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.
- 4257726#36519
- CC1CCc2c(C1)sc1N=Cn3c(C)nnc3c12#151313
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 91.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 246.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.91
- 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 · 4256924