COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331188
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1c(C)nn(c1Cl)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 376.87
Empirical Formula: C20H13ClN4S

Physical State: Dry powder
Available Amount: 155 mg

Lipinsky:
logP: 5.826
Rotatable bonds: 2
H-donors: 0
H-acceptors: 0
PSA: 82
Number of rings: 4

     

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