Molecule card · MolClass #47824
24823110
24823110: 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
- 24823110Mitochondrial Fusion · compound_name
- MolClass ID
- 47824
- InChIKey
- ZTOQQPKPVQHRMT-UHFFFAOYSA-N
- Canonical SMILES
- NNC(=O)Cn2c3ccccc3(nc2(c1nonc1(N)))
- Standard InChI
- InChI=1S/C11H11N7O2/c12-10-9(16-20-17-10)11-14-6-3-1-2-4-7(6)18(11)5-8(19)15-13/h1-4H,5,13H2,(H2,12,17)(H,15,19)
- Stored Murcko scaffold
- n1onc(c1)-c2nc3ccccc3[nH]2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 137.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.251 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.156
- 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 · 24823110