Molecule card · MolClass #51574

14736626

14736626: 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: 14736626Mitochondrial Fusion · compound_name
MolClass ID: 51574
InChIKey: QPOSHSVKLMHDCD-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc(cc1)Nc2ccc(cc2(N))C(=O)O
Standard InChI: InChI=1S/C14H14N2O2/c1-9-2-5-11(6-3-9)16-13-7-4-10(14(17)18)8-12(13)15/h2-8,16H,15H2,1H3,(H,17,18)
Stored Murcko scaffold: c1ccc(cc1)Nc2ccccc2

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: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 75.35 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 242.274 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.469; 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 · 14736626