COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472866
Chemical Name: methyl2-{[(2E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Smiles: CCCc1sc(c(c1)C(=O)OC)NC(=O)/C(=C/c1cc(OC)c(cc1Br)OC)/C#N

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Molecular Weight: 493.38
Empirical Formula: C21H21BrN2O5S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 7.296
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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