COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593085
Chemical Name: 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]acetamide
Smiles: O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 415.39
Empirical Formula: C16H13N7O5S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 1.502
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 171
Number of rings: 4

     

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