COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550466
Chemical Name: ethyl{5-[3-({(Z)-[(2R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-2',3,4'-trioxo-3H,3'H-spiro[1-benzofuran-2,1'-cyclohexan]-3'-ylidene]methyl}amino)phenyl]-2H-tetrazol-2-yl}acetate
Smiles: CCOC(=O)Cn1nnc(n1)c1cccc(c1)N/C=C\1/C(=O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C

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Molecular Weight: 596
Empirical Formula: C28H26ClN5O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.329
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 160
Number of rings: 5

     

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