Molecule card · MolClass #51717
14729464
14729464: 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
- 14729464Mitochondrial Fusion · compound_name
- MolClass ID
- 51717
- InChIKey
- HAFZKOVMNKGNKS-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c2nc(nnc2(c1ccccc1))c3ccccn3
- Standard InChI
- InChI=1S/C16H15N5/c1-21(2)16-14(12-8-4-3-5-9-12)19-20-15(18-16)13-10-6-7-11-17-13/h3-11H,1-2H3
- Stored Murcko scaffold
- n1nc(cnc1-c2ncccc2)-c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.8 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.324 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.731
- 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 · 14729464