COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK707330
Chemical Name: (2E)-3-{3-[3-(azepan-1-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1cccc(c1)S(=O)(=O)N1CCCCCC1)c1ccccc1)/C(=O)NCC1CCCO1

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Molecular Weight: 559.69
Empirical Formula: C30H33N5O4S

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 3.862
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 5

     

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