COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839694
Chemical Name: 2-(2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethyl)-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CCSc2nnc(n2c2ccccc2)c2ccc3c(c2)OCO3)C(=O)c2c1cccc2

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Molecular Weight: 470.51
Empirical Formula: C25H18N4O4S

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 6.113
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 111
Number of rings: 6

     

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