COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367846
Chemical Name: 4-{bis[4-(diethylamino)-2-hydroxyphenyl]methyl}-3-sulfobenzenesulfonate
Smiles: CCN(c1ccc(c(c1)O)C(c1ccc(cc1S(=O)(=O)O)S(=O)(=O)[O-])c1ccc(cc1O)N(CC)CC)CC

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Saltdata: Na+
Molecular Weight: 577.7
Empirical Formula: C27H33N2O8S2

Physical State: Dry powder
Available Amount: 272 mg

Lipinsky:
logP: 4.017
Rotatable bonds: 11
H-donors: 3
H-acceptors: 8
PSA: 175
Number of rings: 3

     

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