COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544422
Chemical Name: 2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Smiles: C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1c1sc2c(c1Cl)ccc(c2)OC

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Molecular Weight: 473.98
Empirical Formula: C22H17ClFN3O2S2

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 7.401
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 110
Number of rings: 4

     

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