COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561609
Chemical Name: methyl6-tert-butyl-2-[3-{3-methoxy-4-[(phenylcarbonyl)oxy]phenyl}-2-(3-nitrophenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COc1cc(ccc1OC(=O)c1ccccc1)C1N(OC2C1C(=O)N(C2=O)c1sc2c(c1C(=O)OC)CCC(C2)C(C)(C)C)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 739.8
Empirical Formula: C39H37N3O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.166
Rotatable bonds: 6
H-donors: 0
H-acceptors: 10
PSA: 185
Number of rings: 7

     

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