COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK227649
Chemical Name: (2E)-3-(2-methoxyphenyl)-1-[5-{[4-(propan-2-yl)benzyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]prop-2-en-1-one
Smiles: COc1ccccc1/C=C/C(=O)n1nc(nc1NCc1ccc(cc1)C(C)C)c1cccnc1

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Molecular Weight: 453.54
Empirical Formula: C27H27N5O2

Physical State: Dry powder
Available Amount: 177 mg

Lipinsky:
logP: 6.048
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 4

     

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