COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483832
Chemical Name: [{[(3Z)-3-{[3-{[bis(carboxylatomethyl)amino]methyl}-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl](2-sulfonatophenyl)methylidene}-2-methyl-6-oxo-5-(propan-2-yl)cyclohexa-1,4-dien-1-yl]methyl}(carboxylatome
Smiles: [O-]C(=O)CN(CC1=C(C)/C(=C(\c2ccccc2S(=O)(=O)[O-])/c2cc(C(C)C)c(c(c2C)CN(CC(=O)[O-])CC(=O)[O-])O)/C=C(C1=O)C(C)C)CC(=O)[O-]

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Saltdata: 4Na+
Molecular Weight: 751.79
Empirical Formula: C37H39N2O13S

Available Amount: 0 mg

Lipinsky:
logP: 4.88
Rotatable bonds: 11
H-donors: 1
H-acceptors: 13
PSA: 269
Number of rings: 3

     

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