COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK287208
Chemical Name: (2E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-{4-[(2-hydroxyethyl)sulfanyl]-3-nitrophenyl}prop-2-enenitrile
Smiles: OCCSc1ccc(cc1[N+](=O)[O-])/C=C(/c1[nH]c2c(n1)cc(c(c2)C)C)\C#N

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Molecular Weight: 394.45
Empirical Formula: C20H18N4O3S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 4.736
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 143
Number of rings: 3

     

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