COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561821
Chemical Name: (4aR)-5,7-dihydroxy-8-(4-hydroxy-2-thioxo-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)[nH]c(=S)nc2O)O)C)c1ccc(cc1)OC(F)(F)F

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Molecular Weight: 635.58
Empirical Formula: C30H20F3N5O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.569
Rotatable bonds: 4
H-donors: 4
H-acceptors: 6
PSA: 183
Number of rings: 7

     

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