COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541712
Chemical Name: 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Smiles: C=CCn1c(SCC(=O)c2ccccc2)nnc1c1sc2c(c1Cl)cccc2

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Molecular Weight: 425.96
Empirical Formula: C21H16ClN3OS2

Physical State: Dry powder
Available Amount: 388 mg

Lipinsky:
logP: 7.43
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 101
Number of rings: 4

     

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