Molecule card · MolClass #42157
22404511
22404511: 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
- 22404511Mitochondrial Fusion · compound_name
- MolClass ID
- 42157
- InChIKey
- ANMCEFNNAFUIBR-UHFFFAOYSA-N
- Canonical SMILES
- Cn2ncc(c2(C(=O)Nc1nccs1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C8H7N5O3S/c1-12-6(5(4-10-12)13(15)16)7(14)11-8-9-2-3-17-8/h2-4H,1H3,(H,9,11,14)
- Stored Murcko scaffold
- n1ccc([CH]Nc2nccs2)[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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 131.19 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.239 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.37
- 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 · 22404511