COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL020386
Chemical Name: ethyl2-[2-(2-methylphenyl)-3-(4-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 561.62
Empirical Formula: C29H27N3O7S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.138
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 150
Number of rings: 6

     

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