COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK020096
Chemical Name: (2E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-enenitrile
Smiles: COc1cc(N2CCCC2)c(cc1/C=C(/c1nc2c([nH]1)cccc2)\C#N)OC

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Molecular Weight: 374.44
Empirical Formula: C22H22N4O2

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 4.668
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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