COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK062431
Chemical Name: (2E)-3-(2,4-dichlorophenyl)-1-[4-(4-nitro-3-{[4-(propan-2-yl)benzyl]amino}phenyl)piperazin-1-yl]prop-2-en-1-one
Smiles: Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccc(cc1)C(C)C)[N+](=O)[O-]

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Molecular Weight: 553.49
Empirical Formula: C29H30Cl2N4O3

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 8.015
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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