Molecule card · MolClass #35692

859281

859281: 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: 859281Mitochondrial Fusion · compound_name
MolClass ID: 35692
InChIKey: FTGGUHYLDIZDCY-UHFFFAOYSA-N
Canonical SMILES: O=C3C(c1ccc(cc1)Cl)=[N+]([O-])c2ccccc2N3(O)
Standard InChI: InChI=1S/C14H9ClN2O3/c15-10-7-5-9(6-8-10)13-14(18)17(20)12-4-2-1-3-11(12)16(13)19/h1-8,20H
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
858766#35752
858903#35757
4263022#35767
14729728#35833
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: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.61 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 288.686 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.493; 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 · 859281