COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK209118
Chemical Name: methylS-benzyl-N-{2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]butanoyl}cysteinate
Smiles: COC(=O)C(NC(=O)C(Sc1[nH]c(=O)c(c(n1)c1ccccc1)C#N)CC)CSCc1ccccc1

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Molecular Weight: 522.65
Empirical Formula: C26H26N4O4S2

Physical State: Dry powder
Available Amount: 144 mg

Lipinsky:
logP: 4.239
Rotatable bonds: 10
H-donors: 2
H-acceptors: 4
PSA: 171
Number of rings: 3

     

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