COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052769
Chemical Name: 4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate
Smiles: CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc(=[N+](CC)CC)c1)CC

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Saltdata: Na+
Molecular Weight: 557.67
Empirical Formula: C27H29N2O7S2

Physical State: Dry powder
Available Amount: 73 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 146
Number of rings: 4

     

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