Molecule card · MolClass #35833

14729728

14729728: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: 14729728Mitochondrial Fusion · compound_name
MolClass ID: 35833
InChIKey: JFNWQCMWKSJBEF-UHFFFAOYSA-N
Canonical SMILES: CCON3C(=O)C(c1ccc(OC)c(c1)OC)=[N+]([O-])c2ccccc23
Standard InChI: InChI=1S/C18H18N2O5/c1-4-25-20-14-8-6-5-7-13(14)19(22)17(18(20)21)12-9-10-15(23-2)16(11-12)24-3/h5-11H,4H2,1-3H3
Stored Murcko scaffold: n1cc([nH+]c2ccccc12)-c3ccccc3

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.

49648018#25886
49648020#26700
24782860#35659
14743304#35684
859281#35692
858766#35752
858903#35757
4263022#35767
858901#36012

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 74.07 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 342.347 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.022; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14729728