Molecule card · MolClass #44722

24809994

24809994: 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: 24809994Mitochondrial Fusion · compound_name
MolClass ID: 44722
InChIKey: LZAOQDXYLIICDX-UHFFFAOYSA-N
Canonical SMILES: Cn1cc(cn1)S(=O)(=O)N2CCCC(C2)C(=O)O
Standard InChI: InChI=1S/C10H15N3O4S/c1-12-7-9(5-11-12)18(16,17)13-4-2-3-8(6-13)10(14)15/h5,7-8H,2-4,6H2,1H3,(H,14,15)
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
24809537#45918
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: 273.31 g/mol; CDK 2.12 · 2026-08-19
XLogP: -0.444; 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 · 24809994