COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK366116
Chemical Name: dimethyl5-({[4-chloro-3-({3-[2-(octadecyloxy)phenyl]-3-oxopropanoyl}amino)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylate
Smiles: CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC

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Molecular Weight: 813.45
Empirical Formula: C43H57ClN2O9S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 13.32
Rotatable bonds: 26
H-donors: 2
H-acceptors: 9
PSA: 162
Number of rings: 3

     

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