COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669975
Chemical Name: sulfanediylbis[benzene-4,1-diylnitrilo(E)methylylidenebenzene-4,1-diyl]bis(3,5-dinitrobenzoate)
Smiles: O=C(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Oc1ccc(cc1)/C=N/c1ccc(cc1)Sc1ccc(cc1)/N=C/c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 812.73
Empirical Formula: C40H24N6O12S

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 8.292
Rotatable bonds: 2
H-donors: 0
H-acceptors: 12
PSA: 285
Number of rings: 6

     

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