COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK123678
Chemical Name: 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
Smiles: CCC(C(=O)Nc1nnc(s1)C(C)C)Sc1nc(c2cccc(c2)OC)c(c(=O)[nH]1)C#N

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Molecular Weight: 470.58
Empirical Formula: C21H22N6O3S2

Physical State: Dry powder
Available Amount: 296 mg

Lipinsky:
logP: 2.849
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 182
Number of rings: 3

     

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