Molecule card · MolClass #49616

24790942

24790942: 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: 24790942Mitochondrial Fusion · compound_name
MolClass ID: 49616
InChIKey: LCEUJENGMKMWJS-UHFFFAOYSA-N
Canonical SMILES: CC(C)Oc1ccc(cc1)C(=O)Nc3cccc2cccnc23
Standard InChI: InChI=1S/C19H18N2O2/c1-13(2)23-16-10-8-15(9-11-16)19(22)21-17-7-3-5-14-6-4-12-20-18(14)17/h3-13H,1-2H3,(H,21,22)
Stored Murcko scaffold: n1cccc2cccc(N[CH]c3ccccc3)c12

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.

8002-5414#24756
24797243#31158

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 5; CDK 2.12 · 2026-08-19
Topological polar surface area: 51.22 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 306.359 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.894; 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 · 24790942