COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK945661
Chemical Name: 2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione
Smiles: CC(Cn1c(C)c(c2c1ncn1c2nc(n1)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)C)C

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Molecular Weight: 492.58
Empirical Formula: C29H28N6O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.22
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 6

     

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