Molecule card · MolClass #51166

17402532

17402532: 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: 17402532Mitochondrial Fusion · compound_name
MolClass ID: 51166
InChIKey: SLDHMWQQBRXOPJ-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C1(CCN(CC1)Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cc3)Cl
Standard InChI: InChI=1S/C21H23Cl2NO4S/c1-2-28-20(25)21(29(26,27)19-9-7-18(23)8-10-19)11-13-24(14-12-21)15-16-3-5-17(22)6-4-16/h3-10H,2,11-15H2,1H3
Stored Murcko scaffold: S(c1ccccc1)C2CCN(Cc3ccccc3)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.

17402485#51170
AZM629#92619

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 72.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 456.384 g/mol; CDK 2.12 · 2026-08-19
XLogP: 4.365; 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 · 17402532