COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK607638
Chemical Name: N-[(2E)-6-nitro-1,3-benzothiazol-2(3H)-ylidene]-4-[(3-nitro-1H-pyrazol-1-yl)methyl]benzamide
Smiles: O=C(c1ccc(cc1)Cn1ccc(n1)[N+](=O)[O-])/N=c\1/sc2c([nH]1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 424.4
Empirical Formula: C18H12N6O5S

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 2.924
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 176
Number of rings: 4

     

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