Molecule card · MolClass #36611
24796829
24796829: 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
- 24796829Mitochondrial Fusion · compound_name
- MolClass ID
- 36611
- InChIKey
- FKKHPAOWVCHPBT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(C(=O)Cn1cc(cn1)[N+](=O)[O-])c(C)c2Cl
- Standard InChI
- InChI=1S/C10H10ClN5O3/c1-6-10(11)7(2)15(13-6)9(17)5-14-4-8(3-12-14)16(18)19/h3-4H,5H2,1-2H3
- Stored Murcko scaffold
- n1cccn1[CH]Cn2nccc2
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
- 4
- 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
- 1.629
- 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 · 24796829