Molecule card · MolClass #44355
14730474
14730474: 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
- 14730474Mitochondrial Fusion · compound_name
- MolClass ID
- 44355
- InChIKey
- LTRBEDXMFGOKQZ-ZLNDROGTSA-N
- Canonical SMILES
- COc2ccccc2(C=CC1=NC(=CN(C)C)C(=O)O1)
- Standard InChI
- InChI=1S/C15H16N2O3/c1-17(2)10-12-15(18)20-14(16-12)9-8-11-6-4-5-7-13(11)19-3/h4-10H,1-3H3/b9-8+,12-10-
- Stored Murcko scaffold
- n1ccoc1C=Cc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 51.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 272.3 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.546
- 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 · 14730474