COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002399
Chemical Name: 5,5'-carbonylbis[2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione]
Smiles: O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 778.78
Empirical Formula: C41H22N4O9S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 7.142
Rotatable bonds: 2
H-donors: 0
H-acceptors: 9
PSA: 234
Number of rings: 8

     

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