Molecule card · MolClass #42753
14730552
14730552: 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
- 14730552Mitochondrial Fusion · compound_name
- MolClass ID
- 42753
- InChIKey
- INFVRTRIZNWRSP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)N(NC(=O)C(C)(C)O)C(=O)c2ccccc2
- Standard InChI
- InChI=1S/C18H20N2O3/c1-13-8-7-11-15(12-13)20(19-17(22)18(2,3)23)16(21)14-9-5-4-6-10-14/h4-12,23H,1-3H3,(H,19,22)
- Stored Murcko scaffold
- [N]([CH]c1ccccc1)c2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.364 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.801
- 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 · 14730552