Molecule card · MolClass #38478

24780759

24780759: 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: 24780759Mitochondrial Fusion · compound_name
MolClass ID: 38478
InChIKey: UIABPEUVYSIEAK-UHFFFAOYSA-N
Canonical SMILES: CC(=O)NC1=C(N)c2ccccc2(OC1(=O))
Standard InChI: InChI=1S/C11H10N2O3/c1-6(14)13-10-9(12)7-4-2-3-5-8(7)16-11(10)15/h2-5H,12H2,1H3,(H,13,14)
Stored Murcko scaffold: O1[CH]C=Cc2ccccc12

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: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 81.42 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 218.209 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.29; 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 · 24780759