COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187620
Chemical Name: (2E)-1-{3,5-bis[(4-methylbenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccccc1/C=C/C(=O)n1nc(nc1NCc1ccc(cc1)C)NCc1ccc(cc1)C

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Molecular Weight: 467.57
Empirical Formula: C28H29N5O2

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 6.112
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 81
Number of rings: 4

     

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