Molecule card · MolClass #36509
24820495
24820495: 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
- 24820495Mitochondrial Fusion · compound_name
- MolClass ID
- 36509
- InChIKey
- MCDUPLXIZMMXMM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n2nc(CC#N)c(C#N)c2(n1)
- Standard InChI
- InChI=1S/C11H9N5/c1-7-5-8(2)16-11(14-7)9(6-13)10(15-16)3-4-12/h5H,3H2,1-2H3
- Stored Murcko scaffold
- n1cccn2nccc12
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 77.77 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 211.223 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.303
- 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 · 24820495