Molecule card · MolClass #42167
24822283
24822283: 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
- 24822283Mitochondrial Fusion · compound_name
- MolClass ID
- 42167
- InChIKey
- FZDUGHGBCVXTGO-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(nnn1c2cc(cc(c2)Cl)Cl)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C9H6Cl2N4O2/c1-5-9(15(16)17)12-13-14(5)8-3-6(10)2-7(11)4-8/h2-4H,1H3
- Stored Murcko scaffold
- n1nn(cc1)-c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 273.076 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.07
- 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 · 24822283