Molecule card · MolClass #45606

14729796

14729796: 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: 14729796Mitochondrial Fusion · compound_name
MolClass ID: 45606
InChIKey: KYUVDXVTXQRQFE-UHFFFAOYSA-N
Canonical SMILES: CCOC(=O)c1cc(NC(=O)N(CC)CC)c(C)nc1(C)
Standard InChI: InChI=1S/C15H23N3O3/c1-6-18(7-2)15(20)17-13-9-12(14(19)21-8-3)10(4)16-11(13)5/h9H,6-8H2,1-5H3,(H,17,20)
Stored Murcko scaffold: n1ccccc1

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: 6; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 8; CDK 2.12 · 2026-08-19
Topological polar surface area: 71.53 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 293.362 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.641; 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 · 14729796