Molecule card · MolClass #51451
14742544
14742544: 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
- 14742544Mitochondrial Fusion · compound_name
- MolClass ID
- 51451
- InChIKey
- HKFBPSOEOJDPPJ-UHFFFAOYSA-N
- Canonical SMILES
- CC2=NC(=O)C(c1ccccc1)=C(C)N2(CCCCCC(=O)O)
- Standard InChI
- InChI=1S/C18H22N2O3/c1-13-17(15-9-5-3-6-10-15)18(23)19-14(2)20(13)12-8-4-7-11-16(21)22/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H,21,22)
- Stored Murcko scaffold
- N1=CNC=C([CH]1)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.
- 3711205#33770
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 314.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.583
- 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 · 14742544