Structure of molecule 37307

Molecule card · MolClass #37307

17411583

17411583: 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
17411583Mitochondrial Fusion · compound_name
MolClass ID
37307
InChIKey
CYYZSGYEAZJPDJ-NTUHNPAUSA-N
Canonical SMILES
CC(Cn1nnc(n1)[N+](=O)[O-])=NNC(=O)c2cccc(c2)Cl
Standard InChI
InChI=1S/C11H10ClN7O3/c1-7(6-18-16-11(15-17-18)19(21)22)13-14-10(20)8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H,14,20)/b13-7+
Stored Murcko scaffold
n1nn(nc1)CC=NN[CH]c2ccccc2

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
6
CDK 2.12 · 2026-08-19
Hydrogen bond donors
1
CDK 2.12 · 2026-08-19
Rotatable bonds
6
CDK 2.12 · 2026-08-19
Topological polar surface area
128.2 Ų
CDK 2.12 · 2026-08-19
Molecular weight
323.696 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.934
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 · 17411583