COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048740
Chemical Name: 4-[2-(3-nitrophenyl)-5-(4-nitrophenyl)-4,6-dioxohexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl4-chloro-1-methyl-1H-pyrazole-5-carboxylate
Smiles: O=C1N(c2ccc(cc2)[N+](=O)[O-])C(=O)C2C1C(c1ccc(cc1)OC(=O)c1c(Cl)cnn1C)N(O2)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 618.95
Empirical Formula: C28H19ClN6O9

Physical State: Dry powder
Available Amount: 249 mg

Lipinsky:
logP: 2.215
Rotatable bonds: 2
H-donors: 0
H-acceptors: 9
PSA: 185
Number of rings: 6

     

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