COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK038812
Chemical Name: (2E)-1-{2-methyl-4-[2-(piperidin-1-yl)ethyl]-4H-pyrazolo[1,5-a]benzimidazol-3-yl}-3-(4-nitrophenyl)prop-2-en-1-one
Smiles: [O-][N+](=O)c1ccc(cc1)/C=C/C(=O)c1c(C)nn2c1n(CCN1CCCCC1)c1c2cccc1

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Molecular Weight: 457.53
Empirical Formula: C26H27N5O3

Physical State: Dry powder
Available Amount: 363 mg

Lipinsky:
logP: 6.118
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 88
Number of rings: 5

     

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