Molecule card · MolClass #38591
24815450
24815450: 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
- 24815450Mitochondrial Fusion · compound_name
- MolClass ID
- 38591
- InChIKey
- LCRONAPEQQSWKN-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)CCCn1cc(cn1)NC(=O)c2cccc(F)c2
- Standard InChI
- InChI=1S/C14H14FN3O3/c15-11-4-1-3-10(7-11)14(21)17-12-8-16-18(9-12)6-2-5-13(19)20/h1,3-4,7-9H,2,5-6H2,(H,17,21)(H,19,20)
- Stored Murcko scaffold
- n1cc(c[nH]1)N[CH]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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 84.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 291.278 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.952
- 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 · 24815450