COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472854
Chemical Name: (2E)-3-[1-benzyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccc(cc1)OC)Cc1ccccc1)/C(=O)Nc1sc(c(c1C#N)CC)C

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Molecular Weight: 507.62
Empirical Formula: C29H25N5O2S

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 6.044
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 131
Number of rings: 4

     

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