Molecule card · MolClass #45918

24809537

24809537: 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: 24809537Mitochondrial Fusion · compound_name
MolClass ID: 45918
InChIKey: DQMYSNIYBRSFDO-UHFFFAOYSA-N
Canonical SMILES: Cc1nn(C)cc1S(=O)(=O)N2CCCC(C2)C(=O)O
Standard InChI: InChI=1S/C11H17N3O4S/c1-8-10(7-13(2)12-8)19(17,18)14-5-3-4-9(6-14)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)
Stored Murcko scaffold: n1cc(SN2CCCCC2)c[nH]1

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.

ZINC26414719#23637
24809994#44722
4243784#52174

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 100.88 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 287.337 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.263; 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 · 24809537