COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807146
Chemical Name: 1-(biphenyl-4-yl)-2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)c2ccccc2)nnc1c1sc2c(c1Cl)ccc(c2)OC

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Molecular Weight: 532.09
Empirical Formula: C28H22ClN3O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 9.192
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 110
Number of rings: 5

     

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