Molecule card · MolClass #47513
14724260
14724260: 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
- 14724260Mitochondrial Fusion · compound_name
- MolClass ID
- 47513
- InChIKey
- FFAQEMAFCCOWFP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cn(c(C)n1)C(=O)C(C)N2C(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C16H15N3O3/c1-9-8-18(11(3)17-9)14(20)10(2)19-15(21)12-6-4-5-7-13(12)16(19)22/h4-8,10H,1-3H3
- Stored Murcko scaffold
- n1ccn(c1)[CH]Cn2cc3ccccc3c2
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.
- 4265803#45649
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.309 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.241
- 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 · 14724260