Molecule card · MolClass #37358
4262241
4262241: 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
- 4262241Mitochondrial Fusion · compound_name
- MolClass ID
- 37358
- InChIKey
- YINWBWZJNJPIHX-UHFFFAOYSA-N
- Canonical SMILES
- O=C2C(F)=CN(C(=O)N2(Cc1ccccc1(F)))C3CCCO3
- Standard InChI
- InChI=1S/C15H14F2N2O3/c16-11-5-2-1-4-10(11)8-19-14(20)12(17)9-18(15(19)21)13-6-3-7-22-13/h1-2,4-5,9,13H,3,6-8H2
- Stored Murcko scaffold
- O1CCCC1N2C=C[CH]N([CH]2)Cc3ccccc3
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.281 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.886
- 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 · 4262241