COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904400
Chemical Name: (2E)-2-(1,3-benzothiazol-2-ylcarbonyl)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enenitrile
Smiles: N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)/C(=O)c1nc2c(s1)cccc2

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Molecular Weight: 581.68
Empirical Formula: C30H23N5O4S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.308
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 154
Number of rings: 6

     

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