Molecule card · MolClass #36991
4262145
4262145: 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
- 4262145Mitochondrial Fusion · compound_name
- MolClass ID
- 36991
- InChIKey
- MOQIBEHXBVLKRN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1(N))c3nn2c(C)nnc2s3
- Standard InChI
- InChI=1S/C11H11N5S/c1-6-3-4-8(5-9(6)12)10-15-16-7(2)13-14-11(16)17-10/h3-5H,12H2,1-2H3
- Stored Murcko scaffold
- n1nc2sc(nn2c1)-c3ccccc3
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.
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
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 245.305 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.76
- 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 · 4262145