COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755503
Chemical Name: N'-[(1S,2S,4Z,5R)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-6,8-dioxabicyclo[3.2.1]oct-4-ylidene]-3,5-dinitrobenzohydrazide(non-preferredname)
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])N/N=C\1/C[C@@H]([C@@H]2O[C@H]1OC2)N1C(=O)c2c(C1=O)cccc2

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Molecular Weight: 481.38
Empirical Formula: C21H15N5O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.365
Rotatable bonds: 0
H-donors: 1
H-acceptors: 9
PSA: 188
Number of rings: 5

     

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