COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL417583
Chemical Name: (2Z)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(morpholin-4-yl)-3-nitrophenyl]prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)/c1[nH]c2c(n1)cc(c(c2)C)C

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Molecular Weight: 403.44
Empirical Formula: C22H21N5O3

Physical State: Dry powder
Available Amount: 62 mg

Lipinsky:
logP: 5.517
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 4

     

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