COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK623410
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]-3-(methylsulfanyl)propyl}-1H-isoindole-1,3(2H)-dione
Smiles: CSCCC(N1C(=O)c2c(C1=O)cccc2)c1nc2n(n1)cnc1c2c(C)c(n1CC(C)C)C

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Molecular Weight: 476.6
Empirical Formula: C25H28N6O2S

Physical State: Dry powder
Available Amount: 399 mg

Lipinsky:
logP: 5.341
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 110
Number of rings: 5

     

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