COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL431220
Chemical Name: (2E)-2-(6-methyl-1H-benzimidazol-2-yl)-3-[3-nitro-4-(piperidin-1-yl)phenyl]prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)/c1nc2c([nH]1)cc(cc2)C

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Molecular Weight: 387.44
Empirical Formula: C22H21N5O2

Physical State: Dry powder
Available Amount: 136 mg

Lipinsky:
logP: 6.678
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 101
Number of rings: 4

     

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