Molecule card · MolClass #48388
17513361
17513361: 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
- 17513361Mitochondrial Fusion · compound_name
- MolClass ID
- 48388
- InChIKey
- UHLRVAPPLDUSOD-UHFFFAOYSA-N
- Canonical SMILES
- CCn3c1ccc(C)cc1c2nnc(NN)nc23
- Standard InChI
- InChI=1S/C12H14N6/c1-3-18-9-5-4-7(2)6-8(9)10-11(18)14-12(15-13)17-16-10/h4-6H,3,13H2,1-2H3,(H,14,15,17)
- Stored Murcko scaffold
- n1nc2c(nc1)[nH]c3ccccc23
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 242.28 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.871
- 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 · 17513361