COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538099
Chemical Name: 8-bromo-3-({(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: C=CCc1cccc(c1O)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br

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Molecular Weight: 439.27
Empirical Formula: C20H15BrN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.193
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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