COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562970
Chemical Name: methyl6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-hydroxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=NC(=C(C1c1cc(OC)c(c(c1)OC)OC)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C)O

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Molecular Weight: 560.03
Empirical Formula: C26H26ClN3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.863
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 164
Number of rings: 3

     

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