COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK664948
Chemical Name: 1-(1,3-benzodioxol-5-yl)-2-({5-[1-(naphthalen-2-ylsulfonyl)pyrrolidin-2-yl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Smiles: O=C(c1ccc2c(c1)OCO2)CSc1nnc(n1c1ccccc1)C1CCCN1S(=O)(=O)c1ccc2c(c1)cccc2

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Molecular Weight: 598.7
Empirical Formula: C31H26N4O5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.31
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 137
Number of rings: 7

     

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