COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045618
Chemical Name: 3-hydroxy-4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1O)[O-])O

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Molecular Weight: 331.4
Empirical Formula: C16H17N3O3S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: -0.254
Rotatable bonds: 3
H-donors: 4
H-acceptors: 3
PSA: 120
Number of rings: 4

     

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