COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK810223
Chemical Name: (2E)-N-benzyl-3-[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide
Smiles: CCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)NCc1ccccc1)\C#N)c1ccccc1

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Molecular Weight: 476.58
Empirical Formula: C30H28N4O2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.562
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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