COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK122878
Chemical Name: methyl4-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccc(c(c1)OC)OC

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Molecular Weight: 400.46
Empirical Formula: C20H20N2O5S

Physical State: Dry powder
Available Amount: 409 mg

Lipinsky:
logP: 4.033
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 117
Number of rings: 2

     

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