Molecule card · MolClass #47835

24824334

24824334: 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: 24824334Mitochondrial Fusion · compound_name
MolClass ID: 47835
InChIKey: GHJYOSHDVYPOKA-IZZDOVSWSA-N
Canonical SMILES: CN(C)C=C1C(=O)N(CS1(=O)(=O))c2ccc(c(c2)Cl)Cl
Standard InChI: InChI=1S/C12H12Cl2N2O3S/c1-15(2)6-11-12(17)16(7-20(11,18)19)8-3-4-9(13)10(14)5-8/h3-6H,7H2,1-2H3/b11-6+
Stored Murcko scaffold: S1[CH][CH]N(c2ccccc2)C1

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.

ZINC01391028#23467
17411206#45959
17402910#46085
17402940#47765

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: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.07 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 335.208 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.075; 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 · 24824334