COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807805
Chemical Name: (2E)-1-[5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Smiles: COc1ccc(cc1)c1nn(c(n1)SCC(=O)c1ccc(cc1)Cl)C(=O)/C=C/c1ccc(cc1)OC

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Molecular Weight: 520.01
Empirical Formula: C27H22ClN3O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.488
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 108
Number of rings: 4

     

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