Molecule card · MolClass #45592

17402477

17402477: 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: 17402477Mitochondrial Fusion · compound_name
MolClass ID: 45592
InChIKey: SFPXTFGHYXTMNY-NTCAYCPXSA-N
Canonical SMILES: O=C(ON=C2CCS(=O)(=O)c1c2(ccs1))c3ccccc3
Standard InChI: InChI=1S/C14H11NO4S2/c16-13(10-4-2-1-3-5-10)19-15-12-7-9-21(17,18)14-11(12)6-8-20-14/h1-6,8H,7,9H2/b15-12+
Stored Murcko scaffold: N(O[CH]c1ccccc1)=C2c3ccsc3SCC2

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.

1909911#17072
17402656#47506

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 109.42 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 321.374 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.613; 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 · 17402477