COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK881169
Chemical Name: (2E)-3-{3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-cyano-N-(tetrahydrofuran-2-ylmethyl)prop-2-enamide
Smiles: CCCCSc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCC1CCCO1)\C#N)c1ccccc1

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Molecular Weight: 486.64
Empirical Formula: C28H30N4O2S

Physical State: Dry powder
Available Amount: 405 mg

Lipinsky:
logP: 5.243
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 105
Number of rings: 4

     

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