COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826521
Chemical Name: methyl2-[({[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2C(=O)OC)NC(=C(C1c1ccc(c(c1)OC)O)C(=O)Nc1ccccc1)C

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Molecular Weight: 584.65
Empirical Formula: C31H28N4O6S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.677
Rotatable bonds: 9
H-donors: 4
H-acceptors: 6
PSA: 175
Number of rings: 4

     

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