COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK434563
Chemical Name: methyl2-{[(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}-5-propylthiophene-3-carboxylate
Smiles: CCCc1cc(c(s1)NC(=O)/C(=C/c1cc2OCOc2cc1Cl)/C#N)C(=O)OC

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Molecular Weight: 432.88
Empirical Formula: C20H17ClN2O5S

Physical State: Dry powder
Available Amount: 935 mg

Lipinsky:
logP: 6.951
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 3

     

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