COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543955
Chemical Name: prop-2-en-1-yl6-({2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1cc(Cl)ccc1C

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Molecular Weight: 540.04
Empirical Formula: C27H26ClN3O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.489
Rotatable bonds: 10
H-donors: 3
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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