COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562010
Chemical Name: (4aR)-5,7-dihydroxy-8-[4-hydroxy-1-(2-methoxyethyl)-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-one
Smiles: COCCn1c(=O)nc(c2c1nc(cc2)c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccc(cc1)OC(F)(F)F)C)O)O

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Molecular Weight: 677.59
Empirical Formula: C33H26F3N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.597
Rotatable bonds: 7
H-donors: 3
H-acceptors: 8
PSA: 168
Number of rings: 7

     

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