COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK945672
Chemical Name: 2-{3-[8,9-dimethyl-7-(4-methylphenyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCCc2nc3n(n2)cnc2c3c(C)c(n2c2ccc(cc2)C)C)C(=O)c2c1cccc2

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Molecular Weight: 464.53
Empirical Formula: C27H24N6O2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.593
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 85
Number of rings: 6

     

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