Molecule card · MolClass #39305
24819246
24819246: 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
- 24819246Mitochondrial Fusion · compound_name
- MolClass ID
- 39305
- InChIKey
- DRGFOMUSGSENTQ-CXUHLZMHSA-N
- Canonical SMILES
- CN(C)C=Nc2nc3nccc(c1ccccn1)n3(n2)
- Standard InChI
- InChI=1S/C13H13N7/c1-19(2)9-16-12-17-13-15-8-6-11(20(13)18-12)10-5-3-4-7-14-10/h3-9H,1-2H3/b16-9+
- Stored Murcko scaffold
- n1cnn2c1nccc2-c3ncccc3
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.
- 24819746#46425
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- 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
- 71.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.966
- 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 · 24819246