COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552369
Chemical Name: 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]-N-(3-{3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}propyl)-3-(4-hydroxy-3-methox
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCCc1onc(n1)c1ccc(cc1)N(C)C

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Molecular Weight: 761.23
Empirical Formula: C39H41ClN4O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.705
Rotatable bonds: 13
H-donors: 3
H-acceptors: 10
PSA: 182
Number of rings: 6

     

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