COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543138
Chemical Name: prop-2-en-1-yl6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(cc1)OCC)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C

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Molecular Weight: 538.07
Empirical Formula: C28H28ClN3O4S

Physical State: Dry powder
Available Amount: 350 mg

Lipinsky:
logP: 5.967
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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