Molecule card · MolClass #35559
14742244
14742244: 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
- 14742244Mitochondrial Fusion · compound_name
- MolClass ID
- 35559
- InChIKey
- CSPAZJUKGODKGZ-UHFFFAOYSA-N
- Canonical SMILES
- O=C2c1ccccc1C=4C2=[N+]([O-])C3CCCCC3[N+]=4([O-])
- Standard InChI
- InChI=1S/C15H14N2O3/c18-15-10-6-2-1-5-9(10)13-14(15)17(20)12-8-4-3-7-11(12)16(13)19/h1-2,5-6,11-12H,3-4,7-8H2
- Stored Murcko scaffold
- c1ccc2c(c1)[CH]C3=[NH+]C4CCCCC4[NH+]=C32
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.88
- 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 · 14742244