COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004791
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 525.43
Empirical Formula: C27H26Cl2N4O3

Physical State: Dry powder
Available Amount: 398 mg

Lipinsky:
logP: 7.023
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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