COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045763
Chemical Name: (3E)-4-(1,3-benzodioxol-5-yl)-1-(5-bromo-2,3-dihydroxy-3H-indol-3-yl)but-3-en-2-one
Smiles: O=C(CC1(O)C(=Nc2c1cc(Br)cc2)O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 416.23
Empirical Formula: C19H14BrNO5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 2.857
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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