COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK706582
Chemical Name: (2Z)-6-(4-methylbenzyl)-2-{[3-(naphthalen-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Smiles: Cc1ccc(cc1)Cc1nn2c(nc1=O)s/c(=C\c1cn(nc1c1ccc3c(c1)cccc3)c1ccccc1)/c2=O

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Molecular Weight: 553.64
Empirical Formula: C33H23N5O2S

Physical State: Dry powder
Available Amount: 386 mg

Lipinsky:
logP: 6.601
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 105
Number of rings: 7

     

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