COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688948
Chemical Name: 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Smiles: O=C(Nc1nc2c(s1)cc(cc2)[N+](=O)[O-])CCCn1nc(c(c1C)[N+](=O)[O-])C

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Molecular Weight: 404.41
Empirical Formula: C16H16N6O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.241
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 179
Number of rings: 3

     

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