COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK904658
Chemical Name: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(3-methoxypropyl)prop-2-enamide
Smiles: COCCCNC(=O)/C(=C/c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)/C#N

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Molecular Weight: 547.68
Empirical Formula: C29H33N5O4S

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 4.083
Rotatable bonds: 8
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 4

     

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