COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK370450
Chemical Name: 2-(3-ethynylphenyl)-5-[3-(5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]-1H-isoindole-1,3(2H)-dione
Smiles: C#Cc1cccc(c1)N1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]

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Molecular Weight: 529.47
Empirical Formula: C30H15N3O7

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 4.485
Rotatable bonds: 2
H-donors: 0
H-acceptors: 7
PSA: 129
Number of rings: 6

     

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