Structure of molecule 39726

Molecule card · MolClass #39726

22401491

22401491: 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
22401491Mitochondrial Fusion · compound_name
MolClass ID
39726
InChIKey
SUOFHOQQORUHNG-GIDUJCDVSA-N
Canonical SMILES
Cc2nnn(c1nonc1(N))c2C(=O)NN=Cc3ccccc3(O)
Standard InChI
InChI=1S/C13H12N8O3/c1-7-10(21(20-16-7)12-11(14)18-24-19-12)13(23)17-15-6-8-4-2-3-5-9(8)22/h2-6,22H,1H3,(H2,14,18)(H,17,23)/b15-6+
Stored Murcko scaffold
n1nn(-c2nonc2)c(c1)[CH]NN=Cc3ccccc3

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.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
7
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
5
CDK 2.12 · 2026-08-19
Topological polar surface area
157.34 Ų
CDK 2.12 · 2026-08-19
Molecular weight
328.287 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.159
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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Mitochondrial Fusion

    Dataset #19 · 22401491