COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172415
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-{4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Smiles: CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccc(cc1Cl)Cl

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Molecular Weight: 435.31
Empirical Formula: C20H20Cl2N4O3

Physical State: Dry powder
Available Amount: 130 mg

Lipinsky:
logP: 5.142
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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