COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045942
Chemical Name: N-(3-ethynylphenyl)-3-[5-(3-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzamide
Smiles: C#Cc1cccc(c1)NC(=O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)Oc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 503.47
Empirical Formula: C29H17N3O6

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.114
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 121
Number of rings: 5

     

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