COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561723
Chemical Name: N-[(5-bromo-4H-1,2,4-triazol-3-yl)methyl]-3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
Smiles: COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1nnc([nH]1)Br

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Molecular Weight: 735.97
Empirical Formula: C31H32BrClN4O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.789
Rotatable bonds: 10
H-donors: 3
H-acceptors: 10
PSA: 180
Number of rings: 5

     

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