COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061428
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[N+](=O)[O-]

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Molecular Weight: 500.38
Empirical Formula: C24H23Cl2N5O3

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.664
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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