COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK380583
Chemical Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-5-(3-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: Cc1ccc2c(c1)[nH]c(n2)c1ccc(cc1)N1N=C(CC1=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 411.42
Empirical Formula: C23H17N5O3

Physical State: Dry powder
Available Amount: 772 mg

Lipinsky:
logP: 3.407
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 107
Number of rings: 5

     

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