COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561587
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-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)-3-(3,4,5-trimethoxyphenyl)p
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)NCCSCc1nc[nH]c1C

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Molecular Weight: 730.24
Empirical Formula: C35H40ClN3O10S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 4.41
Rotatable bonds: 13
H-donors: 3
H-acceptors: 10
PSA: 192
Number of rings: 5

     

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