Molecule card · MolClass #41380
14725871
14725871: 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
- 14725871Mitochondrial Fusion · compound_name
- MolClass ID
- 41380
- InChIKey
- LFAMVUGDMRDVJU-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc3c(c1)C(=O)CCCC2C(=O)N3(CCN2(C(C)=O))
- Standard InChI
- InChI=1S/C17H20N2O3/c1-11-6-7-14-13(10-11)16(21)5-3-4-15-17(22)19(14)9-8-18(15)12(2)20/h6-7,10,15H,3-5,8-9H2,1-2H3
- Stored Murcko scaffold
- [N]1CCN2[CH]C1CCC[CH]c3ccccc32
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.
- 14725081#44148
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 57.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.353 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.275
- 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 · 14725871