COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007416
Chemical Name: (3aR,6aS)-3-(2,3-dimethoxyphenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1c(OC)cccc1C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(OC)c(cc1C)[N+](=O)[O-]

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Molecular Weight: 441.4
Empirical Formula: C21H19N3O8

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.635
Rotatable bonds: 4
H-donors: 0
H-acceptors: 8
PSA: 132
Number of rings: 4

     

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