COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK366115
Chemical Name: 5-({[4-chloro-3-({3-[2-(octadecyloxy)phenyl]-3-oxopropanoyl}amino)phenyl]sulfonyl}amino)benzene-1,3-dicarboxylicacid
Smiles: CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CC(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O

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Molecular Weight: 785.4
Empirical Formula: C41H53ClN2O9S

Physical State: Dry powder
Available Amount: 557 mg

Lipinsky:
logP: 12.532
Rotatable bonds: 26
H-donors: 4
H-acceptors: 9
PSA: 184
Number of rings: 3

     

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