COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561602
Chemical Name: (4aR)-5,7-dihydroxy-8-{4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl}-3,4a,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-o
Smiles: Oc1c(c2ccc3c(n2)n(CCc2c[nH]c4c2cccc4)c(=O)nc3O)c2OC3=Cc4c(C(=O)[C@@]3(c2c(c1C)O)C)c(nn4c1ccc(cc1)OC(F)(F)F)C

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Molecular Weight: 762.7
Empirical Formula: C40H29F3N6O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.703
Rotatable bonds: 7
H-donors: 4
H-acceptors: 7
PSA: 175
Number of rings: 9

     

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