COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561857
Chemical Name: (4aR)-8-[(2E)-3-(dimethylamino)prop-2-enoyl]-5,7-dihydroxy-3,4a,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: CN(/C=C/C(=O)c1c2OC3=Cc4c(C(=O)[C@@]3(c2c(c(c1O)C)O)C)c(nn4c1ccc(cc1)OC(F)(F)F)C)C

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Molecular Weight: 555.51
Empirical Formula: C28H24F3N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.378
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 114
Number of rings: 5

     

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