COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK209089
Chemical Name: methyl4-({2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)C(Sc1nc(c2ccccc2)c(c(=O)[nH]1)C#N)C

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Saltdata: HCl
Molecular Weight: 434.48
Empirical Formula: C22H18N4O4S

Physical State: Dry powder
Available Amount: 84 mg

Lipinsky:
logP: 3.463
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 3

     

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