COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK537166
Chemical Name: 8-bromo-3-({(E)-[4-(decyloxy)phenyl]methylidene}amino)-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Smiles: CCCCCCCCCCOc1ccc(cc1)/C=N/n1c(=O)[nH]c2c(c1=O)[nH]c1c2cc(cc1)Br

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Molecular Weight: 539.47
Empirical Formula: C27H31BrN4O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.114
Rotatable bonds: 10
H-donors: 2
H-acceptors: 3
PSA: 86
Number of rings: 4

     

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