Molecule card · MolClass #51829
14726864
14726864: 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
- 14726864Mitochondrial Fusion · compound_name
- MolClass ID
- 51829
- InChIKey
- WKBXGDZIAHZGNG-UHFFFAOYSA-N
- Canonical SMILES
- CCNc1nc(nc(n1)N2CCCC2)NC(C)(C)C
- Standard InChI
- InChI=1S/C13H24N6/c1-5-14-10-15-11(18-13(2,3)4)17-12(16-10)19-8-6-7-9-19/h5-9H2,1-4H3,(H2,14,15,16,17,18)
- Stored Murcko scaffold
- n1cnc(nc1)N2CCCC2
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.
- 1978389#17605
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 65.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.37 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.933
- 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 · 14726864