COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK705782
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-(3-{3-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CC(C)OC(C1)C)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 581.72
Empirical Formula: C31H27N5O3S2

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 6.677
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 137
Number of rings: 6

     

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