COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552307
Chemical Name: (2S,6'R)-3'-{3-[4-(5-bromo-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-1-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl}-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCN(CC1)c1n[nH]c(n1)Br

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Molecular Weight: 747
Empirical Formula: C32H33BrClN5O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.391
Rotatable bonds: 9
H-donors: 3
H-acceptors: 9
PSA: 176
Number of rings: 6

     

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