COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK366118
Chemical Name: dimethyl5-({[3-({2-[3,5-bis(methoxycarbonyl)phenoxy]-3-[2-(octadecyloxy)phenyl]-3-oxopropanoyl}amino)-4-chlorophenyl]sulfonyl}amino)benzene-1,3-dicarboxylate
Smiles: CCCCCCCCCCCCCCCCCCOc1ccccc1C(=O)C(C(=O)Nc1cc(ccc1Cl)S(=O)(=O)Nc1cc(cc(c1)C(=O)OC)C(=O)OC)Oc1cc(cc(c1)C(=O)OC)C(=O)OC

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Molecular Weight: 1021.62
Empirical Formula: C53H65ClN2O14S

Physical State: Dry powder
Available Amount: 639 mg

Lipinsky:
logP: 15.656
Rotatable bonds: 31
H-donors: 2
H-acceptors: 14
PSA: 224
Number of rings: 4

     

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