Molecule card · MolClass #35875
24819191
24819191: 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
- 24819191Mitochondrial Fusion · compound_name
- MolClass ID
- 35875
- InChIKey
- SIYCNGDFELIGGB-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C)c3NC(c1cccnc1)n4nc(C)cc4(c3(c2))
- Standard InChI
- InChI=1S/C18H18N4/c1-11-7-12(2)17-15(8-11)16-9-13(3)21-22(16)18(20-17)14-5-4-6-19-10-14/h4-10,18,20H,1-3H3
- Stored Murcko scaffold
- n1cccc(c1)C2Nc3ccccc3-c4ccnn42
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
- 3
- 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
- 42.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.37
- 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 · 24819191