COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK543917
Chemical Name: 2,2'-{methanediylbis[(4-phenyl-4H-1,2,4-triazole-5,3-diyl)sulfanediylpropane-3,1-diyl]}bis(1H-isoindole-1,3(2H)-dione)
Smiles: O=C1N(CCCSc2nnc(n2c2ccccc2)Cc2nnc(n2c2ccccc2)SCCCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2

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Molecular Weight: 740.87
Empirical Formula: C39H32N8O4S2

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 9.381
Rotatable bonds: 10
H-donors: 0
H-acceptors: 4
PSA: 186
Number of rings: 8

     

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