Molecule card · MolClass #42711
14740584
14740584: 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
- 14740584Mitochondrial Fusion · compound_name
- MolClass ID
- 42711
- InChIKey
- FESXEPQLEPYLGZ-UHFFFAOYSA-N
- Canonical SMILES
- CN1CCN(CC1)C3=CC(=O)N(Cc2ccc(F)cc2)C(=O)N3
- Standard InChI
- InChI=1S/C16H19FN4O2/c1-19-6-8-20(9-7-19)14-10-15(22)21(16(23)18-14)11-12-2-4-13(17)5-3-12/h2-5,10H,6-9,11H2,1H3,(H,18,23)
- Stored Murcko scaffold
- c1ccc(cc1)CN2[CH]C=C(N[CH]2)N3CCNCC3
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.
- 24815143#44664
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.347 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.602
- 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 · 14740584