COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538056
Chemical Name: 1-butan-2-yl-3-(2-{6-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl)thiourea
Smiles: CCC(NC(=S)NCCc1cc2OCOc2c(c1C=C1C(=O)N(C)C(=O)N(C1=O)C)OC)C

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Molecular Weight: 476.55
Empirical Formula: C22H28N4O6S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.079
Rotatable bonds: 7
H-donors: 2
H-acceptors: 6
PSA: 141
Number of rings: 3

     

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