COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK332490
Chemical Name: ethyl(2Z)-2-cyano-3-[4-(5,6-dibromo-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]-3-hydroxyprop-2-enoate
Smiles: CCOC(=O)/C(=C(/c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C(C1Br)Br)\O)/C#N

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Molecular Weight: 538.19
Empirical Formula: C21H18Br2N2O5

Physical State: Dry powder
Available Amount: 47 mg

Lipinsky:
logP: 2.008
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 107
Number of rings: 4

     

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