Molecule card · MolClass #49585

24793759

24793759: 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: 24793759Mitochondrial Fusion · compound_name
MolClass ID: 49585
InChIKey: ZRCGDAUKDHFYKK-UHFFFAOYSA-N
Canonical SMILES: CCC(C)(C)c1ccc(OCC(=O)N(C)C)c(c1)C(C)(C)CC
Standard InChI: InChI=1S/C20H33NO2/c1-9-19(3,4)15-11-12-17(23-14-18(22)21(7)8)16(13-15)20(5,6)10-2/h11-13H,9-10,14H2,1-8H3
Stored Murcko scaffold: c1ccccc1

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: 2; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 29.54 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 319.482 g/mol; CDK 2.12 · 2026-08-19
XLogP: 5.812; 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 · 24793759