COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150368
Chemical Name: (2E)-3-(4-chlorophenyl)-1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)prop-2-en-1-one
Smiles: Clc1ccc(cc1)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 490.99
Empirical Formula: C27H27ClN4O3

Physical State: Dry powder
Available Amount: 214 mg

Lipinsky:
logP: 6.633
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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