COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041385
Chemical Name: (3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccccc1Cl)[N+](=O)[O-]

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Molecular Weight: 401.76
Empirical Formula: C18H12ClN3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.333
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 4

     

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