Molecule card · MolClass #44118

24820931

24820931: 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: 24820931Mitochondrial Fusion · compound_name
MolClass ID: 44118
InChIKey: ZNQJOGTYBGEFFI-UHFFFAOYSA-N
Canonical SMILES: Cn1cc(c(n1)C(=O)NCc2ccco2)[N+](=O)[O-]
Standard InChI: InChI=1S/C10H10N4O4/c1-13-6-8(14(16)17)9(12-13)10(15)11-5-7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H,11,15)
Stored Murcko scaffold: n1[nH]ccc1[CH]NCc2occc2

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.

No other molecules currently have this stored scaffold.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; 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: 103.2 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 250.211 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.544; 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 · 24820931