Molecule card · MolClass #42127
4255295
4255295: 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
- 4255295Mitochondrial Fusion · compound_name
- MolClass ID
- 42127
- InChIKey
- BZXSPQQTKVLHBT-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)c1ccc2OC(=O)C(C)=Nc2(c1)
- Standard InChI
- InChI=1S/C13H16N2O2/c1-4-15(5-2)10-6-7-12-11(8-10)14-9(3)13(16)17-12/h6-8H,4-5H2,1-3H3
- Stored Murcko scaffold
- N1=C[CH]Oc2ccccc12
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
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.152
- 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 · 4255295