COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556421
Chemical Name: 1-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)-3-ethyl-1-methylthiourea
Smiles: CCNC(=S)N(CCc1cc2OCOc2c(c1C=C1C(=O)N(C)C(=O)N(C1=O)C)OC)C

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Molecular Weight: 462.53
Empirical Formula: C21H26N4O6S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 1.204
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 132
Number of rings: 3

     

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