COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535600
Chemical Name: tert-butyl6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)c2ccc(cc2)Br)NC(=C(C1c1ccc(cc1)Cl)C(=O)OC(C)(C)C)C

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Molecular Weight: 559.91
Empirical Formula: C26H24BrClN2O3S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.603
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 3

     

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