COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK264414
Chemical Name: 5,6-bis(1,3-benzodioxol-5-yl)-2-(4-methyl-2-nitrophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Smiles: Cc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccccc2)C(=C1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2)c1ccccc1

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Molecular Weight: 704.69
Empirical Formula: C42H28N2O9

Physical State: Dry powder
Available Amount: 145 mg

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

     

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