COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562055
Chemical Name: (4aR)-8-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-thioxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl}-5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3c1ccc2c(n1)n(CCc1ccc(c(c1)OC)OC)c(=S)nc2O)O)C)C

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Molecular Weight: 745.81
Empirical Formula: C40H35N5O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.084
Rotatable bonds: 9
H-donors: 3
H-acceptors: 8
PSA: 193
Number of rings: 8

     

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