Molecule card · MolClass #39060

14732835

14732835: 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: 14732835Mitochondrial Fusion · compound_name
MolClass ID: 39060
InChIKey: WTHFLZWFSOXZPR-UHFFFAOYSA-N
Canonical SMILES: Cc1ccc2Oc3nc(C)c(cc3(C(=O)c2(c1)))C(=O)O
Standard InChI: InChI=1S/C15H11NO4/c1-7-3-4-12-10(5-7)13(17)11-6-9(15(18)19)8(2)16-14(11)20-12/h3-6H,1-2H3,(H,18,19)
Stored Murcko scaffold: n1cccc2[CH]c3ccccc3Oc12

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.

68302-57-8#6720
2069938#15976
1907850#16993
49665818#31978
24819443#39534
24820311#41585
24819621#44087

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 76.49 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 269.253 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.878; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Mitochondrial Fusion
Dataset #19 · 14732835