COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551650
Chemical Name: 2-(4-{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-(4-hydroxy-3-methoxyphenyl)propanoyl}piperazin-1-yl)pyridine-3-carbonitrile
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)c1ncccc1C#N

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Molecular Weight: 703.15
Empirical Formula: C36H35ClN4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.638
Rotatable bonds: 9
H-donors: 2
H-acceptors: 9
PSA: 171
Number of rings: 6

     

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