COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187629
Chemical Name: (2E)-1-{3,5-bis[(3,4-dimethoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}-3-(4-fluorophenyl)prop-2-en-1-one
Smiles: COc1cc(CNc2nn(c(n2)NCc2ccc(c(c2)OC)OC)C(=O)/C=C/c2ccc(cc2)F)ccc1OC

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Molecular Weight: 547.59
Empirical Formula: C29H30FN5O5

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 4.67
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 4

     

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