COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK123048
Chemical Name: 2-{[5-cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Smiles: CCSc1nnc(s1)NC(=O)CSc1nc(c2cccc(c2)OC)c(c(=O)[nH]1)C#N

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Saltdata: HCl
Molecular Weight: 460.56
Empirical Formula: C18H16N6O3S3

Physical State: Dry powder
Available Amount: 444 mg

Lipinsky:
logP: 2.654
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 208
Number of rings: 3

     

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