COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK816801
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 449.49
Empirical Formula: C25H15N5O2S

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.375
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 5

     

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