COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730666
Chemical Name: methyl2-({[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COc1cc(/C=C/C(=O)NC(=S)Nc2sc3c(c2C(=O)OC)CCCC3)ccc1OC

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Molecular Weight: 460.58
Empirical Formula: C22H24N2O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.718
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 3

     

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