COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK837610
Chemical Name: methyl4-({[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)benzoate
Smiles: C=CCn1c(SCc2ccc(cc2)C(=O)OC)nc2c(c1=O)c1CCCCc1s2

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Molecular Weight: 426.56
Empirical Formula: C22H22N2O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.453
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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