Molecule card · MolClass #38878
14726270
14726270: 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
- 14726270Mitochondrial Fusion · compound_name
- MolClass ID
- 38878
- InChIKey
- JNIADCJFNPIFOA-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc2N=C(OC(=O)c2(cc1(OC)))C(=C)C
- Standard InChI
- InChI=1S/C13H13NO4/c1-7(2)12-14-9-6-11(17-4)10(16-3)5-8(9)13(15)18-12/h5-6H,1H2,2-4H3
- Stored Murcko scaffold
- N1=CO[CH]c2ccccc12
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
- 57.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.499
- 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 · 14726270