COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150446
Chemical Name: (2E)-3-(4-chlorophenyl)-1-{4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: Clc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NC1CC1)[N+](=O)[O-]

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Molecular Weight: 426.9
Empirical Formula: C22H23ClN4O3

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 5.118
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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