Molecule card · MolClass #42396
24797587
24797587: 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
- 24797587Mitochondrial Fusion · compound_name
- MolClass ID
- 42396
- InChIKey
- CVVFPFJAPZSLBX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc(cn2(Cc1cccc(c1)[N+](=O)[O-]))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H10N4O4/c1-8-12-11(15(18)19)7-13(8)6-9-3-2-4-10(5-9)14(16)17/h2-5,7H,6H2,1H3
- Stored Murcko scaffold
- n1ccn(c1)Cc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 104.1 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.222 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.479
- 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 · 24797587