Molecule card · MolClass #46125
17402936
17402936: 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
- 17402936Mitochondrial Fusion · compound_name
- MolClass ID
- 46125
- InChIKey
- GFKGLEINTDIAFX-UHFFFAOYSA-N
- Canonical SMILES
- CNc2c(cnn2(c1ccc(cc1)Cl))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H9ClN4O2/c1-12-10-9(15(16)17)6-13-14(10)8-4-2-7(11)3-5-8/h2-6,12H,1H3
- Stored Murcko scaffold
- n1cccn1-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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.657 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.998
- 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 · 17402936