COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369165
Chemical Name: 2,2'-ethyne-1,2-diylbis[5-({4-[(2-hydroxyethyl)amino]-6-(4-methylphenoxy)-1,3,5-triazin-2-yl}amino)benzenesulfonate]
Smiles: OCCNc1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])C#Cc2ccc(cc2S(=O)(=O)[O-])Nc2nc(NCCO)nc(n2)Oc2ccc(cc2)C)nc(n1)Oc1ccc(cc1)C

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Molecular Weight: 854.88
Empirical Formula: C38H34N10O10S2

Physical State: Dry powder
Available Amount: 40 mg

Lipinsky:
logP: 1.176
Rotatable bonds: 8
H-donors: 6
H-acceptors: 10
PSA: 315
Number of rings: 6

     

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