COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551548
Chemical Name: methyl3-[(2S,6'R)-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-nitrophenyl)propanoate
Smiles: COC(=O)CC(C1=C(O)C[C@H]([C@@]2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)OC)C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 545.93
Empirical Formula: C26H24ClNO10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.53
Rotatable bonds: 7
H-donors: 1
H-acceptors: 10
PSA: 154
Number of rings: 4

     

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