COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743538
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-{3-methoxy-4-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)oxy]phenyl}prop-2-enenitrile
Smiles: COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)/C=C(/c1nc2c([nH]1)cccc2)\C#N

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Molecular Weight: 483.49
Empirical Formula: C25H21N7O4

Physical State: Dry powder
Available Amount: 17 mg

Lipinsky:
logP: 3.877
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 129
Number of rings: 5

     

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