Molecule card · MolClass #50737

17434048

17434048: 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: 17434048Mitochondrial Fusion · compound_name
MolClass ID: 50737
InChIKey: FOVPKRIHDUYAPP-UHFFFAOYSA-N
Canonical SMILES: O=C(Nc2cc(ccc2(Oc1ccccc1))Cl)c3ccc(F)cc3
Standard InChI: InChI=1S/C19H13ClFNO2/c20-14-8-11-18(24-16-4-2-1-3-5-16)17(12-14)22-19(23)13-6-9-15(21)10-7-13/h1-12H,(H,22,23)
Stored Murcko scaffold: O(c1ccccc1)c2ccccc2N[CH]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.

1182042#13114
1303688#13229
17433846#50778
17387889#51253

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: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 38.33 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 341.764 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.257; 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 · 17434048