COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561665
Chemical Name: (4aR)-5,7-dihydroxy-8-(4-hydroxy-1-methyl-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: Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(C)c(c2c1ccc2c(n1)n(C)c(=O)nc2O)O)C)c1ccc(cc1)OC(F)(F)F

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Molecular Weight: 633.54
Empirical Formula: C31H22F3N5O7

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.586
Rotatable bonds: 4
H-donors: 3
H-acceptors: 7
PSA: 159
Number of rings: 7

     

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