Molecule card · MolClass #35548

3715925

3715925: 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: 3715925Mitochondrial Fusion · compound_name
MolClass ID: 35548
InChIKey: POGJCAXCIBVGAU-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C2=CN=C1N(N=CS1)C2(=O)
Standard InChI: InChI=1S/C8H7N3O3S/c1-2-14-7(13)5-3-9-8-11(6(5)12)10-4-15-8/h3-4H,2H2,1H3
Stored Murcko scaffold: N=1C=C[CH]N2N=CSC12

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.

1572807#14745
24824365#25603
4250095#37939

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 6; 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: 96.63 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 225.226 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.341; 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 · 3715925