COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561807
Chemical Name: (4aR)-5,7-dihydroxy-8-[4-hydroxy-1-(3-methylbutyl)-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: CC(CCn1c(=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)C

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Molecular Weight: 689.65
Empirical Formula: C35H30F3N5O7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.528
Rotatable bonds: 7
H-donors: 3
H-acceptors: 7
PSA: 159
Number of rings: 7

     

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