Molecule card · MolClass #49134
24823149
24823149: 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
- 24823149Mitochondrial Fusion · compound_name
- MolClass ID
- 49134
- InChIKey
- RTHILYFEIRNUJI-HZHRSRAPSA-N
- Canonical SMILES
- c1ccc(cc1)Nc4nc(NN=Cc2cccnc2)nc(Nc3ccccc3)n4
- Standard InChI
- InChI=1S/C21H18N8/c1-3-9-17(10-4-1)24-19-26-20(25-18-11-5-2-6-12-18)28-21(27-19)29-23-15-16-8-7-13-22-14-16/h1-15H,(H3,24,25,26,27,28,29)/b23-15+
- Stored Murcko scaffold
- n1cccc(c1)C=NNc2nc(nc(n2)Nc3ccccc3)Nc4ccccc4
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 382.422 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.574
- 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 · 24823149