COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829989
Chemical Name: 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Smiles: C=CCn1c(SCc2ccc3c(c2)OCO3)nc2c(c1=O)c1CCCc1s2

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Molecular Weight: 398.51
Empirical Formula: C20H18N2O3S2

Physical State: Dry powder
Available Amount: 351 mg

Lipinsky:
logP: 4.773
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 104
Number of rings: 5

     

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