COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904189
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-{1-phenyl-3-[3-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCC1)c1ccccc1)/c1nc2c(s1)cccc2

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Molecular Weight: 537.67
Empirical Formula: C29H23N5O2S2

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 6.416
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 128
Number of rings: 6

     

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