COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357654
Chemical Name: (2E)-N-{4-[5-({2-[(4-ethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-phenylprop-2-enamide
Smiles: CCc1ccc(cc1)NC(=O)CSc1nnc(n1C)c1ccc(cc1)NC(=O)/C=C/c1ccccc1

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Molecular Weight: 497.62
Empirical Formula: C28H27N5O2S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 6.809
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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