COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387761
Chemical Name: 2-(2-bromo-4-nitrophenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Smiles: OCC12C=CC(O1)C1C2C(=O)N(C1=O)c1ccc(cc1Br)[N+](=O)[O-]

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Molecular Weight: 395.17
Empirical Formula: C15H11BrN2O6

Physical State: Dry powder
Available Amount: 76 mg

Lipinsky:
logP: 0.634
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 112
Number of rings: 4

     

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