COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK175343
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[N+](=O)[O-]

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Molecular Weight: 512.39
Empirical Formula: C25H23Cl2N5O3

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 5.184
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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