COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052253
Chemical Name: methyl2-[3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOc1cc(cc(c1O)Br)C1C2C(ON1c1ccccc1)C(=O)N(C2=O)c1sc2c(c1C(=O)OC)CCC(C2)C(C)(C)C

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Molecular Weight: 683.62
Empirical Formula: C33H35BrN2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.745
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 133
Number of rings: 6

     

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