COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003633
Chemical Name: 5-{[6-hydroxy-3-(3-methoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl][4-methoxy-3-(pyrrolidinium-1-ylmethyl)phenyl]methyl}-3-(3-methoxyphenyl)-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4
Smiles: COc1cccc(c1)n1c(=S)[nH]c(=O)c(c1[O-])C(c1c(O)[nH]c(=S)n(c1=O)c1cccc(c1)OC)c1ccc(c(c1)C[NH+]1CCCC1)OC

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Molecular Weight: 701.82
Empirical Formula: C35H35N5O7S2

Available Amount: 0 mg

Lipinsky:
logP: 4.17
Rotatable bonds: 9
H-donors: 4
H-acceptors: 7
PSA: 204
Number of rings: 6

     

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