Molecule card · MolClass #39140

17385808

17385808: 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: 17385808Mitochondrial Fusion · compound_name
MolClass ID: 39140
InChIKey: HZTFMTGJVKQSNS-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)S(C)=NS(=O)(=O)c2ccc(C)cc2
Standard InChI: InChI=1S/C15H17NO2S2/c1-12-4-8-14(9-5-12)19(3)16-20(17,18)15-10-6-13(2)7-11-15/h4-11H,1-3H3
Stored Murcko scaffold: N(Sc1ccccc1)=[S]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.

26731274#31382
856607#31438

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: 74.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 307.434 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.398; 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 · 17385808