COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549356
Chemical Name: benzyl4-(4-chlorophenyl)-5-cyano-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Smiles: N#CC1=C(SCC(=O)Nc2ccc(cc2)F)NC(=C(C1c1ccc(cc1)Cl)C(=O)OCc1ccccc1)C

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Molecular Weight: 548.04
Empirical Formula: C29H23ClFN3O3S

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 6.044
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 116
Number of rings: 4

     

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