Molecule card · MolClass #46413

24803454

24803454: 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: 24803454Mitochondrial Fusion · compound_name
MolClass ID: 46413
InChIKey: YUHXSGIOAZZWRU-UHFFFAOYSA-N
Canonical SMILES: CN(C)c1ccc2C(=O)NNC(=O)c2(c1)
Standard InChI: InChI=1S/C10H11N3O2/c1-13(2)6-3-4-7-8(5-6)10(15)12-11-9(7)14/h3-5H,1-2H3,(H,11,14)(H,12,15)
Stored Murcko scaffold: c1ccc2c[nH][nH]cc2c1

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.

1445-69-8#5095
3682-19-7#8907

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 5; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 61.44 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 205.214 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.067; 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 · 24803454