COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725808
Chemical Name: 6-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C1c1ccccc1)C(=O)Nc1ccccc1OC)C

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Molecular Weight: 589.51
Empirical Formula: C29H25BrN4O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 6.246
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 128
Number of rings: 4

     

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