COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552247
Chemical Name: 3-(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)-N-{3-(methylsulfonyl)-1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]
Smiles: COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)c1ccccn1)CCS(=O)(=O)C

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Molecular Weight: 797.24
Empirical Formula: C37H37ClN4O12S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.167
Rotatable bonds: 15
H-donors: 3
H-acceptors: 12
PSA: 234
Number of rings: 6

     

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