Molecule card · MolClass #35628
14738601
14738601: 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
- 14738601Mitochondrial Fusion · compound_name
- MolClass ID
- 35628
- InChIKey
- OJPGNBLEKYCLBE-FMIVXFBMSA-N
- Canonical SMILES
- COC(=O)N=C1[C-][N+](=NO1)c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C10H8ClN3O3/c1-16-10(15)12-9-6-14(13-17-9)8-4-2-7(11)3-5-8/h2-6H,1H3/b12-9+
- Stored Murcko scaffold
- N=1O[CH][CH-][N+]1c2ccccc2
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.
- 4245563#25677
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
- 63.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 253.642 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.282
- 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 · 14738601