COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847352
Chemical Name: methyl2-[({[4-(4-chlorophenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)N=C(CC1c1ccc(cc1)Cl)O

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Molecular Weight: 455.92
Empirical Formula: C22H18ClN3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.81
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 137
Number of rings: 3

     

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