Molecule card · MolClass #37274

24786238

24786238: 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: 24786238Mitochondrial Fusion · compound_name
MolClass ID: 37274
InChIKey: CZKDTFACTAFACK-UHFFFAOYSA-N
Canonical SMILES: CN2C(=O)NC(Nc1ccccc1)=C(C2(=O))[N+](=O)[O-]
Standard InChI: InChI=1S/C11H10N4O4/c1-14-10(16)8(15(18)19)9(13-11(14)17)12-7-5-3-2-4-6-7/h2-6,12H,1H3,(H,13,17)
Stored Murcko scaffold: [N]1[CH]C=C(N[CH]1)Nc2ccccc2

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.

22414262#28053
851718#33652
7965633#39621

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: 3; CDK 2.12 · 2026-08-19
Topological polar surface area: 104.58 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 262.222 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.904; 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 · 24786238