Molecule card · MolClass #44304
24821485
24821485: 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
- 24821485Mitochondrial Fusion · compound_name
- MolClass ID
- 44304
- InChIKey
- PQPRUNZDKJADHA-VMPITWQZSA-N
- Canonical SMILES
- Cc2nc3ncnn3(c(O)c2(CC=Cc1ccccc1))
- Standard InChI
- InChI=1S/C15H14N4O/c1-11-13(9-5-8-12-6-3-2-4-7-12)14(20)19-15(18-11)16-10-17-19/h2-8,10,20H,9H2,1H3/b8-5+
- Stored Murcko scaffold
- n1cnn2cc(cnc12)CC=Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.31 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 266.298 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.098
- 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 · 24821485