COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL355910
Chemical Name: ethyl2-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccccc2)sc2c1CCCC2

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Molecular Weight: 414.55
Empirical Formula: C21H22N2O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.422
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 127
Number of rings: 3

     

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