Molecule card · MolClass #51850

14726163

14726163: 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: 14726163Mitochondrial Fusion · compound_name
MolClass ID: 51850
InChIKey: OLRQEYHHPDXGTO-UHFFFAOYSA-N
Canonical SMILES: c1ccc(cc1)c3nc(nc2ccccc23)N4CCCCC4
Standard InChI: InChI=1S/C19H19N3/c1-3-9-15(10-4-1)18-16-11-5-6-12-17(16)20-19(21-18)22-13-7-2-8-14-22/h1,3-6,9-12H,2,7-8,13-14H2
Stored Murcko scaffold: n1c(nc(-c2ccccc2)c3ccccc13)N4CCCCC4

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.

661517#10922
14720984#51918

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 2; CDK 2.12 · 2026-08-19
Topological polar surface area: 29.02 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 289.375 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.034; 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 · 14726163