COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561878
Chemical Name: (4aR)-8-[1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl]-5,7-dihydroxy-3,4a,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: Oc1c(C)c(O)c(c2c1[C@]1(C)C(=Cc3c(C1=O)c(C)nn3c1ccc(cc1)OC(F)(F)F)O2)c1ccc2c(n1)n(Cc1ccco1)c(=O)nc2O

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Molecular Weight: 699.6
Empirical Formula: C35H24F3N5O8

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 4.524
Rotatable bonds: 6
H-donors: 3
H-acceptors: 8
PSA: 172
Number of rings: 8

     

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