COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK178986
Chemical Name: (2E)-1-{3,5-bis[(4-ethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-chlorophenyl)prop-2-en-1-one
Smiles: CCOc1ccc(cc1)CNc1nc(n(n1)C(=O)/C=C/c1ccc(cc1)Cl)NCc1ccc(cc1)OCC

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Molecular Weight: 532.04
Empirical Formula: C29H30ClN5O3

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 6.605
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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