COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472824
Chemical Name: methyl2-({(2E)-3-[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]-2-cyanoprop-2-enoyl}amino)-5-propylthiophene-3-carboxylate
Smiles: CCCc1cc(c(s1)NC(=O)/C(=C/c1cc(OCC)c(cc1Br)OC(C)C)/C#N)C(=O)OC

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Molecular Weight: 535.46
Empirical Formula: C24H27BrN2O5S

Physical State: Dry powder
Available Amount: 194 mg

Lipinsky:
logP: 8.707
Rotatable bonds: 10
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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