COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538153
Chemical Name: 3-{[(1E,2E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-en-1-ylidene]amino}-8-bromo-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: C/C(=C\c1ccc2c(c1)OCO2)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br

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Molecular Weight: 467.28
Empirical Formula: C21H15BrN4O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.862
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 96
Number of rings: 5

     

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