Molecule card · MolClass #36297

24787329

24787329: 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: 24787329Mitochondrial Fusion · compound_name
MolClass ID: 36297
InChIKey: UFEMJPHDYOCNPQ-UHFFFAOYSA-N
Canonical SMILES: CCCCOn3c(C)c(C(C)=O)c2c3(ccc1c2(no[n+]1([O-])))
Standard InChI: InChI=1S/C15H17N3O4/c1-4-5-8-21-17-9(2)13(10(3)19)14-11(17)6-7-12-15(14)16-22-18(12)20/h6-7H,4-5,8H2,1-3H3
Stored Murcko scaffold: n1o[nH+]c2ccc3[nH]ccc3c12

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.

14742242#25646
4247855#37554
24821302#44015

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 1; 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: 84.2 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 303.314 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.826; 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 · 24787329