Molecule card · MolClass #38318
14728174
14728174: 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
- 14728174Mitochondrial Fusion · compound_name
- MolClass ID
- 38318
- InChIKey
- KMLNITVFYNSMDI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(C)c1Cl)C(=O)c2c(cnn2(C))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H10ClN5O3/c1-5-8(11)6(2)15(13-5)10(17)9-7(16(18)19)4-12-14(9)3/h4H,1-3H3
- Stored Murcko scaffold
- n1ccc([CH]n2nccc2)[nH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.671 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.875
- 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 · 14728174