COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549854
Chemical Name: methyl3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-[4-(octyloxy)phenyl]propanoate
Smiles: CCCCCCCCOc1ccc(cc1)C(C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)CC(=O)OC

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Molecular Weight: 629.15
Empirical Formula: C34H41ClO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.435
Rotatable bonds: 14
H-donors: 1
H-acceptors: 9
PSA: 117
Number of rings: 4

     

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