COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079137
Chemical Name: 5-(6,7-dimethoxy-4-oxo-4H-3,1-benzoxazin-2-yl)-2-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1cc2c(cc1OC)nc(oc2=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 581.56
Empirical Formula: C30H19N3O8S

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 4.515
Rotatable bonds: 3
H-donors: 0
H-acceptors: 8
PSA: 165
Number of rings: 6

     

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