Molecule card · MolClass #48535
24828787
24828787: 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
- 24828787Mitochondrial Fusion · compound_name
- MolClass ID
- 48535
- InChIKey
- XTZFHMAITZKOAF-NYYWCZLTSA-N
- Canonical SMILES
- CC(=O)NN=Cc1cc2OCOc2(cc1[N+](=O)[O-])
- Standard InChI
- InChI=1S/C10H9N3O5/c1-6(14)12-11-4-7-2-9-10(18-5-17-9)3-8(7)13(15)16/h2-4H,5H2,1H3,(H,12,14)/b11-4+
- Stored Murcko scaffold
- O1c2ccccc2OC1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 251.196 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.658
- 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 · 24828787