COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK119206
Chemical Name: ethyl{[4-methyl-5-(4-{[(2E)-3-phenylprop-2-enoyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Smiles: CCOC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 422.51
Empirical Formula: C22H22N4O3S

Physical State: Dry powder
Available Amount: 116 mg

Lipinsky:
logP: 5.444
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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