COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK178892
Chemical Name: (2E)-1-{3,5-bis[(4-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(3-nitrophenyl)prop-2-en-1-one
Smiles: Clc1ccc(cc1)CNc1nc(nn1C(=O)/C=C/c1cccc(c1)[N+](=O)[O-])NCc1ccc(cc1)Cl

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Molecular Weight: 523.38
Empirical Formula: C25H20Cl2N6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.277
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 117
Number of rings: 4

     

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