COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881050
Chemical Name: (2Z)-2-cyano-N-(3-methoxypropyl)-3-{1-phenyl-3-[4-(propylsulfanyl)phenyl]-1H-pyrazol-4-yl}prop-2-enamide
Smiles: CCCSc1ccc(cc1)c1nn(cc1/C=C(\C(=O)NCCCOC)/C#N)c1ccccc1

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Molecular Weight: 460.6
Empirical Formula: C26H28N4O2S

Physical State: Dry powder
Available Amount: 402 mg

Lipinsky:
logP: 4.932
Rotatable bonds: 8
H-donors: 1
H-acceptors: 2
PSA: 105
Number of rings: 3

     

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