Molecule card · MolClass #48759

7975892

7975892: 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: 7975892Mitochondrial Fusion · compound_name
MolClass ID: 48759
InChIKey: RQGFJUMWWJJAQZ-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)C=2Oc3cc(O)ccc3(C(=O)C=2(c1ccccc1(OC)))
Standard InChI: InChI=1S/C19H16O6/c1-3-24-19(22)18-16(12-6-4-5-7-14(12)23-2)17(21)13-9-8-11(20)10-15(13)25-18/h4-10,20H,3H2,1-2H3
Stored Murcko scaffold: O1C=C([CH]c2ccccc12)c3ccccc3

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.

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Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 82.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 340.327 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.418; 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 · 7975892