COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555681
Chemical Name: methyl5-bromo-3-{[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino}-1H-indole-2-carboxylate
Smiles: COC(=O)c1[nH]c2c(c1NC(=O)/C=C/c1ccc(c(c1)OC)OC)cc(cc2)Br

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Molecular Weight: 459.3
Empirical Formula: C21H19BrN2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.889
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 89
Number of rings: 3

     

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