Molecule card · MolClass #38323

24783923

24783923: 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: 24783923Mitochondrial Fusion · compound_name
MolClass ID: 38323
InChIKey: RXLQCEHRCNOMBW-UHFFFAOYSA-N
Canonical SMILES: CC(C(=O)Nc1cccnc1)n2cc(cn2)[N+](=O)[O-]
Standard InChI: InChI=1S/C11H11N5O3/c1-8(15-7-10(6-13-15)16(18)19)11(17)14-9-3-2-4-12-5-9/h2-8H,1H3,(H,14,17)
Stored Murcko scaffold: n1cccc(c1)N[CH]Cn2nccc2

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.

24781332#37445
24796558#41090
24814104#44647
4241892#47880

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; 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: 102.95 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 261.237 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.826; 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 · 24783923