COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434559
Chemical Name: methyl2-{[(2E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Smiles: CCCc1cc(c(s1)NC(=O)/C(=C/c1ccc2c(c1)OCO2)/C#N)C(=O)OC

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Molecular Weight: 398.44
Empirical Formula: C20H18N2O5S

Physical State: Dry powder
Available Amount: 835 mg

Lipinsky:
logP: 6.439
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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