COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673266
Chemical Name: 5,6-bis(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitrophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Smiles: O=C1N(c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1(c3ccccc3)C(=C(C2(C1=O)c1ccccc1)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2

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Molecular Weight: 704.69
Empirical Formula: C42H28N2O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 9.05
Rotatable bonds: 2
H-donors: 0
H-acceptors: 9
PSA: 137
Number of rings: 10

     

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