COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK038648
Chemical Name: (2E)-1-(4-{3-[(4-chlorobenzyl)amino]-4-nitrophenyl}piperazin-1-yl)-3-(2,4-dichlorophenyl)prop-2-en-1-one
Smiles: Clc1ccc(cc1)CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccc(cc1Cl)Cl

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Molecular Weight: 545.85
Empirical Formula: C26H23Cl3N4O3

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 7.271
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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