COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK382581
Chemical Name: 4-chloro-2-hydroxy-5-[(E)-(4-hydroxy-3-{[4-(octadecanoylamino)-3-sulfophenyl]carbamoyl}naphthalen-1-yl)diazenyl]benzoicacid
Smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1S(=O)(=O)O)NC(=O)c1cc(/N=N/c2cc(C(=O)O)c(cc2Cl)O)c2c(c1O)cccc2

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Molecular Weight: 823.41
Empirical Formula: C42H51ClN4O9S

Physical State: Dry powder
Available Amount: 755 mg

Lipinsky:
logP: 13.28
Rotatable bonds: 23
H-donors: 6
H-acceptors: 9
PSA: 223
Number of rings: 4

     

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