Molecule card · MolClass #42064
14721080
14721080: 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
- 14721080Mitochondrial Fusion · compound_name
- MolClass ID
- 42064
- InChIKey
- ORTSURQBFOLZQZ-WQLSENKSSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(O)=CC2=NCCNC2(=O)
- Standard InChI
- InChI=1S/C13H14N2O2/c1-9-2-4-10(5-3-9)12(16)8-11-13(17)15-7-6-14-11/h2-5,8,16H,6-7H2,1H3,(H,15,17)/b12-8-
- Stored Murcko scaffold
- N1=C(C=Cc2ccccc2)[CH]NCC1
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 230.263 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.667
- 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 · 14721080