COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK807513
Chemical Name: 2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethanone
Smiles: COc1ccc(cc1)n1c(SCC(=O)c2ccccc2)nnc1c1sc2c(c1Cl)cccc2

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Saltdata: CH3COOH
Molecular Weight: 492.02
Empirical Formula: C25H18ClN3O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.707
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 110
Number of rings: 5

     

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