COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081425
Chemical Name: 5-(6-methyl-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Smiles: Cc1ccc2c(c1)c(=O)oc(n2)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 535.54
Empirical Formula: C29H17N3O6S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.238
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 147
Number of rings: 6

     

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