COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887419
Chemical Name: tert-butyl4-(4-chlorophenyl)-5-cyano-6-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2OC)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

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Molecular Weight: 526.06
Empirical Formula: C27H28ClN3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.305
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 125
Number of rings: 3

     

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