Molecule card · MolClass #35786

24781644

24781644: 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: 24781644Mitochondrial Fusion · compound_name
MolClass ID: 35786
InChIKey: IVDFQHLUQJYIJO-UHFFFAOYSA-N
Canonical SMILES: CC3=NN=C2N(N=C(SCc1ccccc1Cl)S2)C3(=O)
Standard InChI: InChI=1S/C12H9ClN4OS2/c1-7-10(18)17-11(15-14-7)20-12(16-17)19-6-8-4-2-3-5-9(8)13/h2-5H,6H2,1H3
Stored Murcko scaffold: N=1N=C2SC(=NN2[CH]C1)SCc3ccccc3

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.

24788336#26338
24788335#35693
17515612#35780

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 107.99 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 324.812 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.766; 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 · 24781644