COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826425
Chemical Name: ethyl4-({[6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridin-3-yl]carbonyl}amino)benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1ccc(cc1)Br

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Molecular Weight: 631.55
Empirical Formula: C31H27BrN4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.29
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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