Molecule card · MolClass #51889

14723293

14723293: 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: 14723293Mitochondrial Fusion · compound_name
MolClass ID: 51889
InChIKey: AVEDXUCTNRSAQE-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)N2c3cc(C)ccc3(C(C)=CC2(C)(C))
Standard InChI: InChI=1S/C20H23NO2S/c1-14-6-9-17(10-7-14)24(22,23)21-19-12-15(2)8-11-18(19)16(3)13-20(21,4)5/h6-13H,1-5H3
Stored Murcko scaffold: S(c1ccccc1)N2c3ccccc3C=CC2

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.

24802174#49459
14723271#51910
14723286#51911

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 45.76 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 341.469 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.59; 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 · 14723293