Molecule card · MolClass #44662

14723045

14723045: 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: 14723045Mitochondrial Fusion · compound_name
MolClass ID: 44662
InChIKey: MAQLZFJQJNSRRS-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)c2c(C)n(CCNC(C)=O)c1ccc(O)cc12
Standard InChI: InChI=1S/C16H20N2O4/c1-4-22-16(21)15-10(2)18(8-7-17-11(3)19)14-6-5-12(20)9-13(14)15/h5-6,9,20H,4,7-8H2,1-3H3,(H,17,19)
Stored Murcko scaffold: c1ccc2[nH]ccc2c1

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: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 7; CDK 2.12 · 2026-08-19
Topological polar surface area: 80.56 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 304.342 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.086; 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 · 14723045