Molecule card · MolClass #43387

14735533

14735533: 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: 14735533Mitochondrial Fusion · compound_name
MolClass ID: 43387
InChIKey: YOFKCUFHLCKNMV-UHFFFAOYSA-N
Canonical SMILES: CCC(=O)OC2c3ccccc3(C(=O)N2(Cc1ccccc1))
Standard InChI: InChI=1S/C18H17NO3/c1-2-16(20)22-18-15-11-7-6-10-14(15)17(21)19(18)12-13-8-4-3-5-9-13/h3-11,18H,2,12H2,1H3
Stored Murcko scaffold: c1ccc(cc1)CN2[CH]c3ccccc3C2

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.

47200407#26334
3714370#43961
7965402#47584

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 46.61 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 295.333 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.491; 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 · 14735533