COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618589
Chemical Name: 2-{1-[8,9-dimethyl-7-(pyridin-4-ylmethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione
Smiles: CC(CC(N1C(=O)c2c(C1=O)cccc2)c1nn2c(n1)c1c(nc2)n(c(c1C)C)Cc1ccncc1)C

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Molecular Weight: 493.57
Empirical Formula: C28H27N7O2

Physical State: Dry powder
Available Amount: 384 mg

Lipinsky:
logP: 4.504
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 6

     

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