COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK227671
Chemical Name: (2E)-1-{5-[(3,4-dimethoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}-3-phenylprop-2-en-1-one
Smiles: COc1ccc(cc1OC)CNc1nc(nn1C(=O)/C=C/c1ccccc1)c1cccnc1

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Molecular Weight: 441.49
Empirical Formula: C25H23N5O3

Physical State: Dry powder
Available Amount: 133 mg

Lipinsky:
logP: 4.441
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 91
Number of rings: 4

     

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