COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL438888
Chemical Name: N-1,3-benzodioxol-5-yl-N~2~-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}-N~2~-(4-methoxybenzyl)valinamide
Smiles: COc1ccc(cc1)CN(C(C(=O)Nc1ccc2c(c1)OCO2)C(C)C)C(=O)CSc1nc(C)cc(n1)C

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Molecular Weight: 536.65
Empirical Formula: C28H32N4O5S

Physical State: Dry powder
Available Amount: 45 mg

Lipinsky:
logP: 5.805
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 128
Number of rings: 4

     

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