COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473100
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(4-bromobenzyl)-3-phenyl-1H-pyrazol-4-yl]-2-cyanoprop-2-enamide
Smiles: N#C/C(=C\c1cn(nc1c1ccccc1)Cc1ccc(cc1)Br)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 541.4
Empirical Formula: C28H21BrN4O3

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 5.2
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 89
Number of rings: 5

     

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