COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562000
Chemical Name: N-[(1R)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl]-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)propanamid
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)N[C@H](c1ccc(cc1)O)C(=O)N

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Molecular Weight: 725.15
Empirical Formula: C36H37ClN2O12

Physical State: Dry powder
Available Amount: 290 mg

Lipinsky:
logP: 4.513
Rotatable bonds: 10
H-donors: 5
H-acceptors: 12
PSA: 202
Number of rings: 5

     

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