Molecule card · MolClass #51950

7977070

7977070: 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: 7977070Mitochondrial Fusion · compound_name
MolClass ID: 51950
InChIKey: UOBWJNQHWHRQTA-AWNIVKPZSA-N
Canonical SMILES: Cc2cc(N=Cc1cc(ccc1(O))Cl)no2
Standard InChI: InChI=1S/C11H9ClN2O2/c1-7-4-11(14-16-7)13-6-8-5-9(12)2-3-10(8)15/h2-6,15H,1H3/b13-6+
Stored Murcko scaffold: n1occc1N=Cc2ccccc2

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 58.62 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 236.655 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.875; 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 · 7977070