Molecule card · MolClass #37292

24800909

24800909: 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: 24800909Mitochondrial Fusion · compound_name
MolClass ID: 37292
InChIKey: QBZWEEZHPPHSQZ-UHFFFAOYSA-N
Canonical SMILES: C=COCCn2c(C)c(C(C)=O)c1cc(O)ccc12
Standard InChI: InChI=1S/C15H17NO3/c1-4-19-8-7-16-10(2)15(11(3)17)13-9-12(18)5-6-14(13)16/h4-6,9,18H,1,7-8H2,2-3H3
Stored Murcko scaffold: c1ccc2[nH]ccc2c1

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: 3; 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: 51.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 259.301 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.718; 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 · 24800909