COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL169089
Chemical Name: (2E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)O)/c1[nH]c2c(n1)ccc(c2)C

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Molecular Weight: 384.23
Empirical Formula: C18H14BrN3O2

Physical State: Dry powder
Available Amount: 49 mg

Lipinsky:
logP: 4.816
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 81
Number of rings: 3

     

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