Molecule card · MolClass #46226
24806278
24806278: 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
- 24806278Mitochondrial Fusion · compound_name
- MolClass ID
- 46226
- InChIKey
- QAVUEQKULBQSLB-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)NC(=N)N2CCCCC2
- Standard InChI
- InChI=1S/C12H19N5/c1-9-8-10(2)15-12(14-9)16-11(13)17-6-4-3-5-7-17/h8H,3-7H2,1-2H3,(H2,13,14,15,16)
- Stored Murcko scaffold
- n1cccnc1N[CH]N2CCCCC2
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.
- 22414532#30547
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 233.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.458
- 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 · 24806278