COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552040
Chemical Name: (3'E)-7-chloro-4,6-dimethoxy-6'-methyl-3'-{[({3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)amino]methylidene}-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC(=O)/C(=C\NCc2onc(n2)CS(=O)(=O)c2ccccc2)/C1=O)Cl

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Molecular Weight: 602.02
Empirical Formula: C27H24ClN3O9S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.604
Rotatable bonds: 6
H-donors: 1
H-acceptors: 9
PSA: 172
Number of rings: 5

     

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