COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK945206
Chemical Name: 2-{1-[7-(3-methoxyphenyl)-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-methylpropyl}-1H-isoindole-1,3(2H)-dione
Smiles: COc1cccc(c1)n1c(C)c(c2c1ncn1c2nc(n1)C(N1C(=O)c2c(C1=O)cccc2)C(C)C)C

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Molecular Weight: 494.55
Empirical Formula: C28H26N6O3

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.89
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 6

     

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